
 SR-01000838868

 48 47  0  0  0  0  0  0  0  0999 V2000
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    2.9137   -0.2750   -0.6065 C   0  0  0  0  0
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    2.6783   -1.6351   -2.8054 C   0  0  0  0  0
    3.6477   -0.6774   -3.4590 C   0  0  0  0  0
    3.5414    0.7676   -2.9201 C   0  0  0  0  0
    3.3957    0.8787   -1.4349 N   0  0  0  0  0
    4.3432    1.7829   -0.7836 C   0  0  0  0  0
    2.3212    1.4585   -3.5781 C   0  0  0  0  0
    4.7841    1.5038   -3.5074 C   0  0  0  0  0
    3.7402   -0.5012    0.7127 C   0  0  0  0  0
    1.0000    0.0000    0.0000 C   0  0  0  0  0
   -0.6948   -0.3551    1.0163 C   0  0  0  0  0
   -1.6750   -1.3455    0.3380 C   0  0  0  0  0
   -1.8468   -1.5932   -0.8411 O   0  0  0  0  0
   -2.4321   -1.9881    1.2684 O   0  0  0  0  0
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    0.5419    2.5288   -1.1013 O   0  0  0  0  0
    1.6015    1.6225    0.7800 O   0  0  0  0  0
    0.2552   -1.0218   -0.8969 H   0  0  0  0  0
    1.3533   -0.0960    1.5069 H   0  0  0  0  0
    1.1390   -1.4701    0.4901 H   0  0  0  0  0
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    4.0658    2.0249    0.2453 H   0  0  0  0  0
    4.3653    2.7596   -1.2771 H   0  0  0  0  0
    5.3557    1.3660   -0.7700 H   0  0  0  0  0
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    5.7176    1.1362   -3.0677 H   0  0  0  0  0
    4.7316    2.5889   -3.3672 H   0  0  0  0  0
    4.8580    1.3405   -4.5904 H   0  0  0  0  0
    4.8038   -0.6468    0.4909 H   0  0  0  0  0
    3.3962   -1.4025    1.2341 H   0  0  0  0  0
    3.6517    0.3232    1.4246 H   0  0  0  0  0
    1.1204    0.1519   -1.5378 H   0  0  0  0  0
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    1.8772    2.1038   -0.0363 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SR-01000838868

>  <PubChem CID>
6419918

>  <Formula>
C14H27NO6

>  <Molecular Weight>
305.371000

>  <IUPAC Name>
2,3-dihydroxybutanedioic acid;1,2,2,6,6-pentamethylpiperidine

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1(CCCC(N1C)(C)C)C.C(C(C(=O)O)O)(C(=O)O)O

>  <Isomeric SMILES>
CC1(CCCC(N1C)(C)C)C.C(C(C(=O)O)O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C10H21N.C4H6O6/c1-9(2)7-6-8-10(3,4)11(9)5;5-1(3(7)8)2(6)4(9)10/h6-8H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)

>  <InChI Key>
AAFNEINEQRQMTF-UHFFFAOYSA-N

