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CHEBI:188042 - 5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin

ChEBI IDCHEBI:188042
ChEBI Name5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12O6
Net Charge0
Average Mass312.277
Monoisotopic Mass312.06339
SMILESCOc1cc2c3c(cc(=O)oc3c1)-c1cc(O)c(OC)cc1O2
InChIInChI=1S/C17H12O6/c1-20-8-3-14-17-10(6-16(19)23-15(17)4-8)9-5-11(18)13(21-2)7-12(9)22-14/h3-7,18H,1-2H3
InChIKeyZXZGQGQLKDSDFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin (CHEBI:188042) is a xanthenes (CHEBI:38835)
IUPAC Name 
4-hydroxy-5,11-dimethoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-15-one
Manual XrefsDatabases
159477ChemSpider
LMPK12100061LIPID MAPS
Registry NumbersSources
CAS:112078-70-3ChemIDplus