CHEBI:3475 - Cavinine

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ChEBI Name Cavinine
ChEBI ID CHEBI:3475
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H21NO6
Net Charge 0
Average Mass 347.363
Monoisotopic Mass 347.13689
InChI InChI=1S/C18H21NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12-13,16-17,20H,4-7H2,1-2H3/t10-,12-,13-,16+,17+,18+/m1/s1
InChIKey GKZWOVRDMISXTE-VGYNPPCGSA-N
SMILES CO[C@@H]1C[C@H]2N3C[C@@H](O)[C@]2([C@H]2O[C@@H]12)c1cc2OCOc2c(OC)c1C3
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 Cavinine (CHEBI:3475) is a alkaloid (CHEBI:22315)
Synonym Source
Cavinine KEGG COMPOUND
Manual Xrefs Databases
C00001568 KNApSAcK
C08524 KEGG COMPOUND
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Registry Number Type Source
58189-38-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014