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CHEBI:70240 - Candimine

ChEBI IDCHEBI:70240
ChEBI NameCandimine
Stars
DefinitionA natural product found in Hippeastrum morelianum and Hippeastrum candidum.
Secondary ChEBI IDCHEBI:3351
Last Modified22 September 2014
DownloadsMolfile
FormulaC18H19NO6
Net Charge0
Average Mass345.351
Monoisotopic Mass345.12124
SMILES[H][C@@]12c3cc4c(c(OC)c3C(=O)O[C@]1([H])[C@@H](O)C=C1CCN(C)[C@]12[H])OCO4
InChIInChI=1S/C18H19NO6/c1-19-4-3-8-5-10(20)15-12(14(8)19)9-6-11-16(24-7-23-11)17(22-2)13(9)18(21)25-15/h5-6,10,12,14-15,20H,3-4,7H2,1-2H3/t10-,12-,14+,15+/m0/s1
InChIKeyOLGJGNBIBXKMJN-OBCWZRDOSA-N
Species of MetaboliteComponentSourceComments
Hippeastrum candidum (IPNI:65056-1) - PubMed (21105684)
Hippeastrum morelianum (IPNI:122802-2) bulb (BTO:0000159) PubMed (21105684) Combined ethanolic extract of fresh bulbs
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
Candimine (CHEBI:70240) has role metabolite (CHEBI:25212)
Candimine (CHEBI:70240) is a alkaloid (CHEBI:22315)
Synonyms  Source
(5S,5aS,12bS,12cS)-5-Hydroxy-8-methoxy-1-methyl-2,3,5,5a,12b,12c-hexahydro[1,3]dioxolo[6,7]isochromeno[3,4-g]indol-7(1H)-oneChEBI
CandimineKEGG COMPOUND
Manual XrefsDatabases
C00001564KNApSAcK
C08520KEGG COMPOUND
Registry NumbersSources
CAS:24585-19-1KEGG COMPOUND
Citations