CHEBI:5582 - Gyrocarpine

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ChEBI Name Gyrocarpine
ChEBI ID CHEBI:5582
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C37H40N2O6
Net Charge 0
Average Mass 608.725
Monoisotopic Mass 608.28864
InChI InChI=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
InChIKey VXPVPAHQYCJDTP-URLMMPGGSA-N
SMILES COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(Oc5c(OC)c(O)cc6CCN(C)[C@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Gyrocarpine (CHEBI:5582) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
Synonym Source
Gyrocarpine KEGG COMPOUND
Manual Xrefs Databases
C00001863 KNApSAcK
C09458 KEGG COMPOUND
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Registry Number Type Source
102487-16-1 CAS Registry Number KEGG COMPOUND
Last Modified
12 August 2016