Marvin  02200811412D          

 21 24  0  0  1  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 15  2  1  0  0  0  0
 20  1  1  0  0  0  0
  2  3  1  0  0  0  0
  7  3  2  0  0  0  0
  4  3  1  0  0  0  0
 10  4  2  0  0  0  0
 20  5  1  0  0  0  0
  5  4  1  0  0  0  0
 11  6  1  0  0  0  0
 17  6  1  0  0  0  0
 14  7  1  0  0  0  0
  9  7  1  0  0  0  0
 19  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 16  9  1  0  0  0  0
 13 10  1  0  0  0  0
 12 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
  6 20  1  0  0  0  0
  2  1  2  0  0  0  0
 20 21  1  1  0  0  0
M  END
> <ID>
CHEBI:48538

> <NAME>
apomorphine

> <STAR>
3

> <SECONDARY_ID>
CHEBI:94845

> <SYNONYM>
R-(-)-apomorphine; apomorphine; Apomorphin; (R)-5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diol; (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol; (-)-10,11-dihydroxyaporphine

> <IUPAC_NAME>
6abeta-aporphine-10,11-diol

> <FORMULA>
C17H17NO2

> <MASS>
267.32240

> <MONOISOTOPIC_MASS>
267.12593

> <CHARGE>
0

> <SMILES>
[H][C@]12Cc3ccc(O)c(O)c3-c3cccc(CCN1C)c23

> <INCHI>
InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1

> <INCHIKEY>
VMWNQDUVQKEIOC-CYBMUJFWSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3653944

> <CAS_REGISTRY_NUMBER>
58-00-4

> <CHEMIDPLUS>
58-00-4

> <DRUGBANK_ACCESSION>
DB00714

> <LINCS_ACCESSION>
LSM-25611

> <NIST_CHEMISTRY_WEBBOOK>
58-00-4

> <WIKIPEDIA_ACCESSION>
Apomorphine

$$$$