Marvin  02020822302D          

 22 26  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
   -0.7145    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
    0.0030   -1.6464    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7109   -2.0631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7127   -2.0511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4268   -1.6510    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7067   -2.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -1.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7206   -2.8689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4310   -0.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419   -2.0715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0128   -3.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4365   -3.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4262    0.8296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9416   -1.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954   -2.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1397   -1.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7183   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2 12  1  0  0  0  0
  1  3  2  0  0  0  0
  3 14  1  0  0  0  0
  2  4  2  0  0  0  0
  4 18  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  1  0  0  0
  9 12  1  6  0  0  0
  9 13  1  0  0  0  0
 10 15  1  1  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  6  0  0  0
 13 16  1  0  0  0  0
 15 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
> <ID>
CHEBI:17303

> <NAME>
morphine

> <DEFINITION>
A morphinane alkaloid that is a highly potent opiate analgesic psychoactive drug. Morphine acts directly on the central nervous system (CNS) to relieve pain but has a high potential for addiction, with tolerance and both physical and psychological dependence developing rapidly. Morphine is the most abundant opiate found in Papaver somniferum (the opium poppy).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44202; CHEBI:7001; CHEBI:14622; CHEBI:25419

> <SYNONYM>
morphium; morphinum; Morphine; Morphin; Morphia; morfina; (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL; (5R,6S,9R,13S,14R)-4,5-epoxy-N-methyl-7-morphinen-3,6-diol; (5alpha,6alpha)-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol; (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol; (-)-morphine

> <IUPAC_NAME>
17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol

> <FORMULA>
C17H19NO3

> <MASS>
285.33770

> <MONOISOTOPIC_MASS>
285.13649

> <CHARGE>
0

> <SMILES>
[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45

> <INCHI>
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1

> <INCHIKEY>
BQJCRHHNABKAKU-KBQPJGBKSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
93704

> <CAS_REGISTRY_NUMBER>
57-27-2

> <REAXYS_REGISTRY_NUMBER>
93704

> <CHEMIDPLUS>
57-27-2

> <DRUGBANK_ACCESSION>
DB00295

> <KEGG_COMPOUND_ACCESSION>
C01516

> <KEGG_DRUG_ACCESSION>
D08233

> <KNAPSACK_ACCESSION>
C00001889

> <METACYC_ACCESSION>
MORPHINE

> <NIST_CHEMISTRY_WEBBOOK>
57-27-2

> <PDB_ACCESSION>
1Q0Y

> <PDBECHEM_ACCESSION>
MOI

> <WIKIPEDIA_ACCESSION>
Morphine

> <PUBMED_CITATION>
12593758; 15019787; 17171884; 17667569; 19371311; 20071451; 21061062; 23292329; 23325235; 23555556; 23927484; 23988259; 24096538; 24306419; 27735107; 27815868; 27866460; 29368335; 9231550

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