
 Arborinine

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.9890    0.1078   -0.2520 C   0  0  0  0  0
    2.4462    0.1611   -0.0924 N   0  0  0  0  0
    3.0701    1.4268   -0.0342 C   0  0  0  0  0
    2.3707    2.6415    0.0754 C   0  0  0  0  0
    3.0373    3.8742    0.1043 C   0  0  0  0  0
    4.4246    3.9244    0.0353 C   0  0  0  0  0
    5.1465    2.7396   -0.0476 C   0  0  0  0  0
    4.4719    1.5089   -0.0725 C   0  0  0  0  0
    5.2592    0.2625   -0.1313 C   0  0  0  0  0
    6.4845    0.3037   -0.2354 O   0  0  0  0  0
    4.5721   -1.0474   -0.0322 C   0  0  0  0  0
    5.3268   -2.2466    0.0246 C   0  0  0  0  0
    4.6870   -3.4929    0.1346 C   0  0  0  0  0
    3.2838   -3.5014    0.2250 C   0  0  0  0  0
    2.5523   -2.3023    0.1483 C   0  0  0  0  0
    3.1668   -1.0522    0.0022 C   0  0  0  0  0
    2.4650   -4.6013    0.3339 O   0  0  0  0  0
    2.9728   -5.7207    1.0501 C   0  0  0  0  0
    5.2911   -4.7211    0.1393 O   0  0  0  0  0
    6.7012   -4.8258    0.0228 C   0  0  0  0  0
    6.7011   -2.1923   -0.0271 O   0  0  0  0  0
    0.6580   -0.7749   -0.8095 H   0  0  0  0  0
    0.6032    0.9424   -0.8478 H   0  0  0  0  0
    0.4978    0.1145    0.7272 H   0  0  0  0  0
    1.2884    2.6685    0.1569 H   0  0  0  0  0
    2.4653    4.7960    0.1842 H   0  0  0  0  0
    4.9420    4.8798    0.0559 H   0  0  0  0  0
    6.2330    2.7719   -0.0879 H   0  0  0  0  0
    1.4727   -2.3921    0.2300 H   0  0  0  0  0
    2.1144   -6.2969    1.4103 H   0  0  0  0  0
    3.5584   -5.4247    1.9272 H   0  0  0  0  0
    3.5428   -6.3758    0.3846 H   0  0  0  0  0
    7.2056   -4.3762    0.8836 H   0  0  0  0  0
    7.0559   -4.4205   -0.9297 H   0  0  0  0  0
    6.9510   -5.8917    0.0291 H   0  0  0  0  0
    6.9766   -1.2525   -0.1289 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2 16  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 21  1  0  0  0
 13 14  2  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 29  1  0  0  0
 17 18  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 20 33  1  0  0  0
 20 34  1  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
Arborinine

>  <PubChem CID>
5281832

>  <Formula>
C16H15NO4

>  <Molecular Weight>
285.299000

>  <IUPAC Name>
1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O

>  <Isomeric SMILES>
CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O

>  <InChI Std. ID>
InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3

>  <InChI Key>
ATBZZQPALSPNMF-UHFFFAOYSA-N

