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CHEBI:168989 - 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one

ChEBI IDCHEBI:168989
ChEBI Name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O8
Net Charge0
Average Mass362.334
Monoisotopic Mass362.10017
SMILESCOc1ccc(C2Oc3cc(O)c(OC)c(O)c3C(=O)C2OC)cc1O
InChIInChI=1S/C18H18O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,16,18-21H,1-3H3
InChIKeyCCWSQXBMKLEALQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:168989) is a ether (CHEBI:25698)
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:168989) is a flavonoids (CHEBI:72544)
IUPAC Name 
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
HMDB0130262HMDB
74852789ChemSpider