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CHEBI:15716 - 12-hydroxydihydrochelirubine

ChEBI IDCHEBI:15716
ChEBI Name12-hydroxydihydrochelirubine
Stars
DefinitionA benzophenanthridine alkaloid comprising dihydrochelirubine carrying a hydroxy substituent at the 12-position.
Secondary ChEBI IDsCHEBI:741, CHEBI:11317, CHEBI:19139
Last Modified7 October 2015
DownloadsMolfile
FormulaC21H17NO6
Net Charge0
Average Mass379.368
Monoisotopic Mass379.10559
SMILESCOc1cc2c(c3c1-c1cc(O)c4cc5c(cc4c1N(C)C3)OCO5)OCO2
InChIInChI=1S/C21H17NO6/c1-22-7-13-19(17(24-2)6-18-21(13)28-9-27-18)12-3-14(23)10-4-15-16(26-8-25-15)5-11(10)20(12)22/h3-6,23H,7-9H2,1-2H3
InChIKeyLEHAJESKGINQOW-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)
12-hydroxydihydrochelirubine (CHEBI:15716) has functional parent chelirubine (CHEBI:17031)
12-hydroxydihydrochelirubine (CHEBI:15716) is a benzophenanthridine alkaloid (CHEBI:38517)
IUPAC Name 
5-methoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-7-ol
Synonyms  Source
12-HydroxydihydrochelirubineKEGG COMPOUND
12-HydroxychelirubineKEGG COMPOUND
UniProt Name  Source
12-hydroxydihydrochelirubineUniProt
Manual XrefsDatabases
C05193KEGG COMPOUND
C00027673KNApSAcK
Registry NumbersSources
CAS:131984-77-5KEGG COMPOUND