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CHEBI:173142 - 6-{4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:173142
ChEBI Name6-{4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O12
Net Charge0
Average Mass548.541
Monoisotopic Mass548.18938
SMILESCOc1cc2c(c(O)c1C(=O)CCc1ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc1)C(O)CC(C)(C)O2
InChIInChI=1S/C27H32O12/c1-27(2)11-15(29)19-17(39-27)10-16(36-3)18(20(19)30)14(28)9-6-12-4-7-13(8-5-12)37-26-23(33)21(31)22(32)24(38-26)25(34)35/h4-5,7-8,10,15,21-24,26,29-33H,6,9,11H2,1-3H3,(H,34,35)
InChIKeyQVTIZLSZLDONCK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
6-{4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:173142) is a flavonoids (CHEBI:72544)
6-{4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:173142) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-oxopropyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid