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CHEBI:168807 - 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate

ChEBI IDCHEBI:168807
ChEBI Name5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O7
Net Charge0
Average Mass358.346
Monoisotopic Mass358.10525
SMILESCOc1cc(O)c2c(c1OC(C)=O)OCC(Cc1ccc(O)cc1)C2=O
InChIInChI=1S/C19H18O7/c1-10(20)26-18-15(24-2)8-14(22)16-17(23)12(9-25-19(16)18)7-11-3-5-13(21)6-4-11/h3-6,8,12,21-22H,7,9H2,1-2H3
InChIKeyNXGGYXKVAVMQLL-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)
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone 8-acetate (CHEBI:168807) is a homoflavonoid (CHEBI:73233)
IUPAC Name 
[5-hydroxy-3-[(4-hydroxyphenyl)methyl]-7-methoxy-4-oxo-2,3-dihydrochromen-8-yl] acetate
Manual XrefsDatabases
HMDB0037252HMDB
10254761ChemSpider