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CHEBI:180710 - 8-Carboxymethyldihydrochelerythrine

ChEBI IDCHEBI:180710
ChEBI Name8-Carboxymethyldihydrochelerythrine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H21NO6
Net Charge0
Average Mass407.422
Monoisotopic Mass407.13689
SMILESCOc1ccc2c(c1OC)C(CC(=O)O)N(C)c1c-2ccc2cc3c(cc12)OCO3
InChIInChI=1S/C23H21NO6/c1-24-16(10-20(25)26)21-13(6-7-17(27-2)23(21)28-3)14-5-4-12-8-18-19(30-11-29-18)9-15(12)22(14)24/h4-9,16H,10-11H2,1-3H3,(H,25,26)
InChIKeyOZWQDEDYZWNLMM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
8-Carboxymethyldihydrochelerythrine (CHEBI:180710) is a benzophenanthridine alkaloid (CHEBI:38517)
IUPAC Name 
2-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)acetic acid
Manual XrefsDatabases
HMDB0029832HMDB
35013088ChemSpider