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CHEBI:31022 - (+/-)-6-Acetonyldihydrosanguinarine

Default Structure
ChEBI IDCHEBI:31022
ChEBI Name(+/-)-6-Acetonyldihydrosanguinarine
Stars
Last Modified26 October 2017
DownloadsMolfile
FormulaC23H19NO5
Net Charge0
Average Mass389.407
Monoisotopic Mass389.12632
SMILESCC(=O)CC1c2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c2N1C)OCO4
InChIInChI=1S/C23H19NO5/c1-12(25)7-17-21-14(5-6-18-23(21)29-11-26-18)15-4-3-13-8-19-20(28-10-27-19)9-16(13)22(15)24(17)2/h3-6,8-9,17H,7,10-11H2,1-2H3
InChIKeyONEHMWWDDDSJBB-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-Acetonyldihydrosanguinarine (CHEBI:31022) is a benzophenanthridine alkaloid (CHEBI:38517)
Synonyms  Source
6-Acetonyl-5,6-dihydrosanguinarineKEGG COMPOUND
(+/-)-6-AcetonyldihydrosanguinarineKEGG COMPOUND
(+/-)-8-AcetonyldihydrosanguinarineKEGG COMPOUND
Manual XrefsDatabases
C00024626KNApSAcK
C00027777KNApSAcK
C12201KEGG COMPOUND
HMDB0039896HMDB