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CHEBI:230693 - lmpk12050368

Default Structure
ChEBI IDCHEBI:230693
ChEBI Namelmpk12050368
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12O7
Net Charge0
Average Mass328.276
Monoisotopic Mass328.05830
SMILESCOc1c(O)cccc1-c1coc2cc3c(c(O)c2c1=O)OCO3
InChIInChI=1S/C17H12O7/c1-21-16-8(3-2-4-10(16)18)9-6-22-11-5-12-17(24-7-23-12)15(20)13(11)14(9)19/h2-6,18,20H,7H2,1H3
InChIKeyOAYKQFMUHNRKTM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
lmpk12050368 (CHEBI:230693) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
9-hydroxy-7-(3-hydroxy-2-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Manual XrefsDatabases
24842852ChemSpider
LMPK12050368LIPID MAPS