
 Galanin (3-29), porcine

410416  0  0  0  0  0  0  0  0999 V2000
    6.9939    3.4783   -3.1992 C   0  0  0  0  0
    8.1698    2.5223   -3.0621 C   0  0  0  0  0
    9.4109    2.8846   -3.9103 C   0  0  0  0  0
    9.8534    4.3329   -3.6535 C   0  0  0  0  0
   10.5871    1.8953   -3.6552 C   0  0  0  0  0
   10.1555    0.4313   -3.9196 C   0  0  0  0  0
   10.1987   -0.0758   -5.0457 O   0  0  0  0  0
    9.6421   -0.2296   -2.8223 N   0  0  0  0  0
    9.1846   -1.6266   -2.8685 C   0  0  0  0  0
   10.3090   -2.6155   -2.5877 C   0  0  0  0  0
   11.1893   -2.7796   -3.7855 C   0  0  0  0  0
   10.9573   -3.5004   -4.7430 O   0  0  0  0  0
   12.2997   -2.0224   -3.7170 O   0  0  0  0  0
    8.0604   -1.7828   -1.8163 C   0  0  0  0  0
    8.1761   -2.4454   -0.7900 O   0  0  0  0  0
    6.9180   -1.0695   -2.1026 N   0  0  0  0  0
    5.7602   -0.9882   -1.1877 C   0  0  0  0  0
    5.9816    0.1104   -0.1477 C   0  0  0  0  0
    4.9284    0.1524    0.9361 C   0  0  0  0  0
    4.2077    1.1233    1.1370 O   0  0  0  0  0
    4.8632   -0.9337    1.7566 N   0  0  0  0  0
    4.5099   -0.7323   -2.0599 C   0  0  0  0  0
    3.6163    0.0531   -1.7663 O   0  0  0  0  0
    4.4360   -1.5251   -3.1843 N   0  0  0  0  0
    3.3250   -1.4447   -4.1455 C   0  0  0  0  0
    3.5408   -0.2382   -5.0866 C   0  0  0  0  0
    2.3925    0.0339   -5.9990 C   0  0  0  0  0
    1.1396    0.5658   -5.7782 C   0  0  0  0  0
    0.3603    0.4554   -6.9006 N   0  0  0  0  0
    1.1352   -0.0746   -7.8159 C   0  0  0  0  0
    2.3965   -0.2853   -7.3361 N   0  0  0  0  0
    3.2807   -2.8113   -4.8806 C   0  0  0  0  0
    4.0164   -3.7412   -4.5511 O   0  0  0  0  0
    2.3409   -2.9343   -5.8750 N   0  0  0  0  0
    2.1532   -4.1280   -6.6993 C   0  0  0  0  0
    0.7332   -4.6847   -6.5157 C   0  0  0  0  0
    0.5018   -5.1843   -5.0807 C   0  0  0  0  0
   -0.8885   -5.7814   -4.8633 C   0  0  0  0  0
   -1.0383   -6.9568   -5.7117 N   0  0  0  0  0
   -1.8422   -7.8862   -5.3651 C   0  0  0  0  0
   -2.6462   -7.9925   -4.2854 N   0  0  0  0  0
   -1.9694   -8.9812   -6.1445 N   0  0  0  0  0
    2.4834   -3.8310   -8.2010 C   0  0  0  0  0
    1.8335   -4.2965   -9.1353 O   0  0  0  0  0
    3.6618   -3.1376   -8.4325 N   0  0  0  0  0
    4.2008   -2.9253   -9.7919 C   0  0  0  0  0
    4.7106   -1.4802   -9.9395 C   0  0  0  0  0
    3.6319   -0.5505   -9.8236 O   0  0  0  0  0
    5.3972   -3.8545  -10.1252 C   0  0  0  0  0
    6.5355   -3.6151   -9.7301 O   0  0  0  0  0
    5.1114   -4.9848  -10.8660 N   0  0  0  0  0
    6.1799   -5.8292  -11.4513 C   0  0  0  0  0
    7.2063   -5.0781  -12.3363 C   0  0  0  0  0
    6.6193   -4.4647  -13.5897 C   0  0  0  0  0
    6.2526   -3.1129  -13.6211 C   0  0  0  0  0
    5.7223   -2.5480  -14.7829 C   0  0  0  0  0
    5.5642   -3.3254  -15.9285 C   0  0  0  0  0
    5.9392   -4.6672  -15.9143 C   0  0  0  0  0
    6.4618   -5.2355  -14.7506 C   0  0  0  0  0
    6.9191   -6.7348  -10.4216 C   0  0  0  0  0
    8.0307   -7.2227  -10.6308 O   0  0  0  0  0
    6.1590   -7.1523   -9.3510 N   0  0  0  0  0
    6.7098   -7.9919   -8.2741 C   0  0  0  0  0
    6.2080   -7.5735   -6.8817 C   0  0  0  0  0
    6.5207   -6.1549   -6.5824 C   0  0  0  0  0
    5.7794   -5.0342   -6.8478 C   0  0  0  0  0
    6.4211   -3.8900   -6.4780 N   0  0  0  0  0
    7.5669   -4.3091   -5.9883 C   0  0  0  0  0
    7.6637   -5.6763   -6.0046 N   0  0  0  0  0
    6.3161   -9.4558   -8.5102 C   0  0  0  0  0
    5.5041  -10.0523   -7.8043 O   0  0  0  0  0
    6.9153  -10.0562   -9.5950 N   0  0  0  0  0
    6.6087  -11.4480   -9.9082 C   0  0  0  0  0
    6.5110  -11.6612  -11.4063 C   0  0  0  0  0
    5.5693  -12.8082  -11.6158 C   0  0  0  0  0
    5.4855  -13.8112  -10.9274 O   0  0  0  0  0
    4.7719  -12.6249  -12.6822 O   0  0  0  0  0
    7.6760  -12.3743   -9.2888 C   0  0  0  0  0
    8.7853  -12.5602   -9.7863 O   0  0  0  0  0
    7.3069  -12.9071   -8.0751 N   0  0  0  0  0
    8.1465  -13.8352   -7.3163 C   0  0  0  0  0
    7.8128  -13.6716   -5.8241 C   0  0  0  0  0
    8.9745  -14.0621   -4.9067 C   0  0  0  0  0
    8.6071  -13.8367   -3.4348 C   0  0  0  0  0
    9.7929  -14.1111   -2.5115 C   0  0  0  0  0
    9.4128  -13.8966   -1.1195 N   0  0  0  0  0
    7.8677  -15.2667   -7.8464 C   0  0  0  0  0
    7.1184  -16.0629   -7.2856 O   0  0  0  0  0
    8.4837  -15.5487   -9.0537 N   0  0  0  0  0
    8.2605  -16.8244   -9.7384 C   0  0  0  0  0
    8.8464  -16.8379  -11.1643 C   0  0  0  0  0
    8.1186  -15.9944  -12.1842 C   0  0  0  0  0
    6.9074  -16.4334  -12.7402 C   0  0  0  0  0
    6.2771  -15.6890  -13.7389 C   0  0  0  0  0
    6.8501  -14.5021  -14.1766 C   0  0  0  0  0
    8.0518  -14.0508  -13.6424 C   0  0  0  0  0
    8.6811  -14.7943  -12.6414 C   0  0  0  0  0
    6.1685  -13.7758  -15.1076 O   0  0  0  0  0
    8.9527  -17.9813   -8.9654 C   0  0  0  0  0
    9.8503  -17.8136   -8.1411 O   0  0  0  0  0
    8.5428  -19.2451   -9.3433 N   0  0  0  0  0
    9.1396  -20.4344   -8.7704 C   0  0  0  0  0
    8.4862  -21.6905   -9.3538 C   0  0  0  0  0
    7.9073  -21.6961  -10.4405 O   0  0  0  0  0
    8.6480  -22.8204   -8.5835 N   0  0  0  0  0
    8.1173  -24.1188   -8.9951 C   0  0  0  0  0
    8.8547  -25.2742   -8.2974 C   0  0  0  0  0
   10.2888  -25.5506   -8.8004 C   0  0  0  0  0
   11.2558  -24.3893   -8.5657 C   0  0  0  0  0
   10.8344  -26.8048   -8.1077 C   0  0  0  0  0
    6.6192  -24.1405   -8.6082 C   0  0  0  0  0
    6.2185  -24.4935   -7.5015 O   0  0  0  0  0
    5.7883  -23.5912   -9.5601 N   0  0  0  0  0
    4.3440  -23.4947   -9.3700 C   0  0  0  0  0
    3.7932  -22.3428  -10.2015 C   0  0  0  0  0
    3.6503  -24.8055   -9.7610 C   0  0  0  0  0
    4.1718  -25.8221  -10.1938 O   0  0  0  0  0
    2.3106  -24.7604   -9.5840 O   0  0  0  0  0
   11.7326    2.2040   -4.5206 N   0  0  0  0  0
   12.8472    2.8634   -4.0472 C   0  0  0  0  0
   12.9541    3.2099   -2.8695 O   0  0  0  0  0
   13.9216    3.2223   -5.0978 C   0  0  0  0  0
   13.4691    4.4245   -5.9195 C   0  0  0  0  0
   15.1622    3.5086   -4.3831 N   0  0  0  0  0
   16.4064    3.4526   -4.9631 C   0  0  0  0  0
   16.5734    3.3015   -6.1725 O   0  0  0  0  0
   17.5793    3.6728   -3.9831 C   0  0  0  0  0
   18.6661    2.6072   -4.2154 C   0  0  0  0  0
   18.2384    1.2336   -3.8247 C   0  0  0  0  0
   17.6531    0.2156   -4.5479 C   0  0  0  0  0
   17.4398   -0.8839   -3.7592 N   0  0  0  0  0
   17.9012   -0.5569   -2.5747 C   0  0  0  0  0
   18.3971    0.7160   -2.5628 N   0  0  0  0  0
   18.1375    5.0095   -4.2172 N   0  0  0  0  0
   17.6269    6.1352   -3.5914 C   0  0  0  0  0
   16.7062    6.0684   -2.7808 O   0  0  0  0  0
   18.3124    7.4611   -4.0238 C   0  0  0  0  0
   17.9986    7.7720   -5.4927 C   0  0  0  0  0
   16.7051    8.5746   -5.3991 C   0  0  0  0  0
   16.9293    9.4314   -4.1640 C   0  0  0  0  0
   17.8167    8.6481   -3.3185 N   0  0  0  0  0
   18.3437    9.0567   -2.1028 C   0  0  0  0  0
   19.1837    8.3863   -1.4999 O   0  0  0  0  0
   17.7736   10.3723   -1.5225 C   0  0  0  0  0
   18.5888   11.0137   -0.4986 N   0  0  0  0  0
   19.7063   11.7548   -0.8181 C   0  0  0  0  0
   20.0893   11.8835   -1.9846 O   0  0  0  0  0
   20.4003   12.5271    0.3481 C   0  0  0  0  0
   20.6353   11.6568    1.5996 C   0  0  0  0  0
   21.1555   12.3959    2.8541 C   0  0  0  0  0
   20.1378   13.3904    3.4247 C   0  0  0  0  0
   21.5295   11.3882    3.9431 C   0  0  0  0  0
   21.6675   13.0748   -0.1801 N   0  0  0  0  0
   22.1840   14.2646    0.2954 C   0  0  0  0  0
   21.6204   14.8804    1.1961 O   0  0  0  0  0
   23.4149   14.8334   -0.4655 C   0  0  0  0  0
   23.7994   16.2559    0.0235 C   0  0  0  0  0
   22.6865   17.3387   -0.0480 C   0  0  0  0  0
   23.1783   18.6489    0.5754 C   0  0  0  0  0
   22.1737   17.5896   -1.4640 C   0  0  0  0  0
   24.5756   13.8990   -0.5212 N   0  0  0  0  0
   25.3685   13.6004    0.5703 C   0  0  0  0  0
   25.1276   14.0401    1.6952 O   0  0  0  0  0
   26.6456   12.7221    0.3248 C   0  0  0  0  0
   27.8310   13.7048    0.1260 C   0  0  0  0  0
   29.1767   13.0574   -0.1146 C   0  0  0  0  0
   30.0860   12.8928    0.9466 C   0  0  0  0  0
   31.2658   12.1669    0.7685 C   0  0  0  0  0
   31.5276   11.5967   -0.4678 C   0  0  0  0  0
   30.6809   11.8076   -1.5526 C   0  0  0  0  0
   29.5098   12.5486   -1.3794 C   0  0  0  0  0
   32.5646   10.7129   -0.5739 O   0  0  0  0  0
   26.7838   11.8948    1.5413 N   0  0  0  0  0
   27.4370   10.7380    1.8318 C   0  0  0  0  0
   27.3954   10.3412    3.0041 O   0  0  0  0  0
   28.1536    9.8872    0.7713 C   0  0  0  0  0
   29.1685    9.0609    1.4384 N   0  0  0  0  0
   30.3247    8.5904    0.8489 C   0  0  0  0  0
   30.6028    8.7626   -0.3385 O   0  0  0  0  0
   31.2221    7.7291    1.7792 C   0  0  0  0  0
   30.8731    6.2670    1.4878 C   0  0  0  0  0
   32.6630    7.9813    1.6064 N   0  0  0  0  0
   33.5886    7.4302    2.4711 C   0  0  0  0  0
   33.2400    6.7135    3.4171 O   0  0  0  0  0
   35.0799    7.7730    2.2462 C   0  0  0  0  0
   35.3526    9.1376    2.8991 C   0  0  0  0  0
   36.5249    9.7606    2.3769 O   0  0  0  0  0
   35.8909    6.6649    2.8066 N   0  0  0  0  0
   37.2594    6.6262    2.9043 C   0  0  0  0  0
   37.9649    7.6014    2.6417 O   0  0  0  0  0
   37.8816    5.2749    3.3665 C   0  0  0  0  0
   38.0056    4.3150    2.1811 C   0  0  0  0  0
   36.6775    3.7294    1.7717 C   0  0  0  0  0
   35.5957    4.0554    2.2447 O   0  0  0  0  0
   36.7596    2.7983    0.7778 N   0  0  0  0  0
   39.1913    5.5806    3.9778 N   0  0  0  0  0
   40.0032    4.6319    4.5585 C   0  0  0  0  0
   39.8443    3.4236    4.3878 O   0  0  0  0  0
   41.1657    5.1835    5.4060 C   0  0  0  0  0
   41.3064    4.3951    6.7245 C   0  0  0  0  0
   40.1934    4.5655    7.7859 C   0  0  0  0  0
   40.1139    5.9923    8.3275 C   0  0  0  0  0
   38.8112    4.0984    7.3308 C   0  0  0  0  0
   42.3954    5.0319    4.6196 N   0  0  0  0  0
   42.9091    6.0642    3.8692 C   0  0  0  0  0
   42.3938    7.1820    3.8370 O   0  0  0  0  0
   44.2200    5.7361    3.1074 C   0  0  0  0  0
   43.8787    5.0690    1.7572 C   0  0  0  0  0
   45.0832    4.9706    0.8194 C   0  0  0  0  0
   43.4099    3.7352    2.0085 O   0  0  0  0  0
   44.9997    6.9900    2.9618 N   0  0  0  0  0
    6.1155    3.0600   -2.6963 H   0  0  0  0  0
    6.7375    3.6392   -4.2507 H   0  0  0  0  0
    7.2052    4.4450   -2.7338 H   0  0  0  0  0
    7.8038    1.5389   -3.3720 H   0  0  0  0  0
    8.4469    2.4471   -2.0037 H   0  0  0  0  0
    9.1232    2.8115   -4.9685 H   0  0  0  0  0
   10.1678    4.4692   -2.6135 H   0  0  0  0  0
    9.0502    5.0440   -3.8660 H   0  0  0  0  0
   10.6858    4.6185   -4.3034 H   0  0  0  0  0
   10.9074    1.9697   -2.6092 H   0  0  0  0  0
    9.7965    0.1769   -1.9031 H   0  0  0  0  0
    8.7475   -1.8161   -3.8567 H   0  0  0  0  0
    9.9112   -3.6131   -2.3603 H   0  0  0  0  0
   10.9101   -2.3208   -1.7199 H   0  0  0  0  0
   12.7661   -2.1659   -4.5680 H   0  0  0  0  0
    6.9095   -0.4808   -2.9288 H   0  0  0  0  0
    5.6354   -1.9630   -0.7009 H   0  0  0  0  0
    6.0120    1.0948   -0.6303 H   0  0  0  0  0
    6.9513   -0.0212    0.3493 H   0  0  0  0  0
    5.6484   -1.5606    1.8725 H   0  0  0  0  0
    4.2276   -0.8432    2.5417 H   0  0  0  0  0
    5.0661   -2.3208   -3.2806 H   0  0  0  0  0
    2.3915   -1.3410   -3.5789 H   0  0  0  0  0
    4.4567   -0.3886   -5.6727 H   0  0  0  0  0
    3.7112    0.6653   -4.4859 H   0  0  0  0  0
    0.7387    0.9751   -4.8591 H   0  0  0  0  0
    0.8590   -0.3359   -8.8298 H   0  0  0  0  0
    3.1470   -0.7013   -7.8782 H   0  0  0  0  0
    1.6041   -2.2387   -5.9318 H   0  0  0  0  0
    2.8614   -4.8980   -6.3791 H   0  0  0  0  0
    0.5758   -5.5109   -7.2189 H   0  0  0  0  0
   -0.0088   -3.9142   -6.7615 H   0  0  0  0  0
    0.6282   -4.3547   -4.3750 H   0  0  0  0  0
    1.2610   -5.9363   -4.8315 H   0  0  0  0  0
   -1.6575   -5.0412   -5.1113 H   0  0  0  0  0
   -0.9812   -6.0280   -3.7992 H   0  0  0  0  0
   -2.8110   -7.1206   -3.7996 H   0  0  0  0  0
   -3.5199   -8.4580   -4.5013 H   0  0  0  0  0
   -1.8994   -9.8400   -5.6128 H   0  0  0  0  0
   -1.2648   -8.9577   -6.8760 H   0  0  0  0  0
    4.3020   -3.0036   -7.6508 H   0  0  0  0  0
    3.3982   -3.0915  -10.5195 H   0  0  0  0  0
    5.1766   -1.3339  -10.9195 H   0  0  0  0  0
    5.4436   -1.2337   -9.1641 H   0  0  0  0  0
    3.9698    0.3161  -10.1173 H   0  0  0  0  0
    4.2052   -5.0202  -11.3220 H   0  0  0  0  0
    5.6384   -6.5404  -12.0904 H   0  0  0  0  0
    8.0010   -5.7664  -12.6557 H   0  0  0  0  0
    7.7330   -4.3039  -11.7659 H   0  0  0  0  0
    6.4015   -2.4849  -12.7468 H   0  0  0  0  0
    5.4451   -1.4970  -14.8008 H   0  0  0  0  0
    5.1609   -2.8829  -16.8359 H   0  0  0  0  0
    5.8338   -5.2684  -16.8140 H   0  0  0  0  0
    6.7671   -6.2796  -14.7653 H   0  0  0  0  0
    5.2038   -6.8207   -9.2859 H   0  0  0  0  0
    7.8047   -7.9278   -8.2933 H   0  0  0  0  0
    6.6315   -8.2269   -6.1094 H   0  0  0  0  0
    5.1167   -7.7034   -6.8294 H   0  0  0  0  0
    4.8171   -5.0421   -7.3216 H   0  0  0  0  0
    8.3677   -3.6853   -5.6169 H   0  0  0  0  0
    8.4550   -6.2112   -5.6753 H   0  0  0  0  0
    7.7050   -9.5888  -10.0388 H   0  0  0  0  0
    5.6415  -11.6893   -9.4508 H   0  0  0  0  0
    7.4724  -11.8762  -11.8792 H   0  0  0  0  0
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192193  1  0  0  0
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196197  1  0  0  0
196391  1  0  0  0
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209405  1  0  0  0
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211410  1  0  0  0
M  END

>  <Chemical Name>
Galanin (3-29), porcine

>  <PubChem CID>
91898927

>  <Formula>
C133H199N39O39

>  <Molecular Weight>
2968.289000

>  <IUPAC Name>


>  <XlogP>
-11.7

>  <Hydrogen Bond Donors>
42

>  <Hydrogen Bond Acceptors>
45

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CN=CN3)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)NC(=O)C(C)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCCN6C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)N

>  <Isomeric SMILES>
CCC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)N

>  <InChI Std. ID>
InChI=1S/C133H199N39O39/c1-15-68(10)108(171-110(188)70(12)151-116(194)90(46-76-53-140-61-147-76)166-129(207)99-27-22-38-172(99)104(182)58-146-111(189)83(39-64(2)3)157-117(195)85(41-66(6)7)158-119(197)88(45-75-30-34-80(177)35-31-75)154-102(180)56-144-109(187)69(11)150-127(205)97(59-173)170-124(202)94(50-101(136)179)163-118(196)86(42-67(8)9)167-130(208)107(137)72(14)175)131(209)168-96(52-106(185)186)126(204)164-93(49-100(135)178)123(201)162-91(47-77-54-141-62-148-77)121(199)156-82(26-21-37-143-133(138)139)114(192)169-98(60-174)128(206)160-89(43-73-23-17-16-18-24-73)120(198)161-92(48-78-55-142-63-149-78)122(200)165-95(51-105(183)184)125(203)155-81(25-19-20-36-134)113(191)159-87(44-74-28-32-79(176)33-29-74)112(190)145-57-103(181)153-84(40-65(4)5)115(193)152-71(13)132(210)211/h16-18,23-24,28-35,53-55,61-72,81-99,107-108,173-177H,15,19-22,25-27,36-52,56-60,134,137H2,1-14H3,(H2,135,178)(H2,136,179)(H,140,147)(H,141,148)(H,142,149)(H,144,187)(H,145,190)(H,146,189)(H,150,205)(H,151,194)(H,152,193)(H,153,181)(H,154,180)(H,155,203)(H,156,199)(H,157,195)(H,158,197)(H,159,191)(H,160,206)(H,161,198)(H,162,201)(H,163,196)(H,164,204)(H,165,200)(H,166,207)(H,167,208)(H,168,209)(H,169,192)(H,170,202)(H,171,188)(H,183,184)(H,185,186)(H,210,211)(H4,138,139,143)/t68?,69-,70-,71-,72+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96?,97-,98-,99-,107-,108-/m0/s1

>  <InChI Key>
LDEAEHIIHOWDLI-MBCAHCKDSA-N

