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CHEBI:31021 - (+/-)-6-Acetonyldihydrochelerythrine

ChEBI IDCHEBI:31021
ChEBI Name(+/-)-6-Acetonyldihydrochelerythrine
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Last Modified26 October 2017
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FormulaC24H23NO5
Net Charge0
Average Mass405.450
Monoisotopic Mass405.15762
SMILESCOc1ccc2c(c1OC)C(CC(C)=O)N(C)c1c-2ccc2cc3c(cc12)OCO3
InChIInChI=1S/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3
InChIKeyVGTQLFWIJIABSU-UHFFFAOYSA-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)
(+/-)-6-Acetonyldihydrochelerythrine (CHEBI:31021) is a benzophenanthridine alkaloid (CHEBI:38517)
Synonyms  Source
(+/-)-6-AcetonyldihydrochelerythrineKEGG COMPOUND
6-Acetonyl-5,6-dihydrochelerythrineKEGG COMPOUND
Manual XrefsDatabases
C12200KEGG COMPOUND