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CHEBI:5582 - Gyrocarpine

ChEBI IDCHEBI:5582
ChEBI NameGyrocarpine
Stars
Last Modified12 August 2016
DownloadsMolfile
FormulaC37H40N2O6
Net Charge0
Average Mass608.735
Monoisotopic Mass608.28864
SMILES[H][C@]12Cc3ccc(OC)c(c3)Oc3ccc(cc3)C[C@]3([H])c4c(cc(O)c(OC)c4Oc4cc1c(cc4OC)CCN2C)CCN3C
InChIInChI=1S/C37H40N2O6/c1-38-14-12-24-20-32(42-4)34-21-27(24)28(38)17-23-8-11-31(41-3)33(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)19-30(40)36(43-5)37(35)45-34/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
InChIKeyVXPVPAHQYCJDTP-URLMMPGGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Gyrocarpine (CHEBI:5582) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Synonym  Source
GyrocarpineKEGG COMPOUND
Manual XrefsDatabases
C09458KEGG COMPOUND
C00001863KNApSAcK
Registry NumbersSources
CAS:102487-16-1KEGG COMPOUND