Marvin  08010615302D          

 22 25  0  0  0  0            999 V2000
    0.1572    0.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1573   -0.5333    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9822   -0.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3947    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1407   -2.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823    0.8956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3948    1.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1406   -0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9939    0.1077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2552    0.1812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6677    0.8956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552   -1.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261   -1.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4261   -1.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2189   -2.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232   -0.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232   -2.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376   -2.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5696   -0.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2841   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  7  1  0  0  0  0
 11  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6 15  1  0  0  0  0
 14  9  1  0  0  0  0
  9 13  2  0  0  0  0
 14  2  1  0  0  0  0
  7  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 13 21  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  1  0  0  0  0
 19 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 15 14  2  0  0  0  0
  3  2  1  0  0  0  0
  2 18  1  6  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:42944

> <NAME>
galanthamine

> <DEFINITION>
A benzazepine alkaloid isolated from certain species of daffodils.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42935; CHEBI:5264

> <SYNONYM>
Galanthamine; (4aS,6R,8aS)-3-methoxy-11-methyl-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol; (-)-galanthamine; (-)-galantamine

> <IUPAC_NAME>
galanthamine

> <INN>
galanthaminum; galantamine; galantamine; galantamina

> <FORMULA>
C17H21NO3

> <MASS>
287.35358

> <MONOISOTOPIC_MASS>
287.15214

> <CHARGE>
0

> <SMILES>
[H][C@]12C[C@@H](O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13

> <INCHI>
InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1

> <INCHIKEY>
ASUTZQLVASHGKV-JDFRZJQESA-N

> <BEILSTEIN_REGISTRY_NUMBER>
93736

> <CAS_REGISTRY_NUMBER>
357-70-0

> <REAXYS_REGISTRY_NUMBER>
93736

> <CHEMIDPLUS>
357-70-0

> <DRUGBANK_ACCESSION>
DB00674

> <KEGG_COMPOUND_ACCESSION>
C08526

> <KEGG_DRUG_ACCESSION>
D04292

> <KNAPSACK_ACCESSION>
C00001570

> <LINCS_ACCESSION>
LSM-5604

> <METACYC_ACCESSION>
CPD-19430

> <NIST_CHEMISTRY_WEBBOOK>
357-70-0

> <PDBECHEM_ACCESSION>
GNT

> <WIKIPEDIA_ACCESSION>
Galantamine

> <PUBMED_CITATION>
10606746; 11060814; 11119642; 11950787; 12177686; 14674789; 15495017; 15537482; 15563167; 16437436; 17481657; 19253410; 19782102; 23035744; 5333582

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