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CHEBI:168847 - Gancaonin D

ChEBI IDCHEBI:168847
ChEBI NameGancaonin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCOc1ccc(-c2coc3c(C/C=C(\C)CO)c(O)cc(O)c3c2=O)cc1O
InChIInChI=1S/C21H20O7/c1-11(9-22)3-5-13-15(23)8-17(25)19-20(26)14(10-28-21(13)19)12-4-6-18(27-2)16(24)7-12/h3-4,6-8,10,22-25H,5,9H2,1-2H3/b11-3+
InChIKeyUCKSAYIMWMIZQJ-QDEBKDIKSA-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)
Gancaonin D (CHEBI:168847) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-4-one
Manual XrefsDatabases
LMPK12050263LIPID MAPS
4476336ChemSpider
HMDB0038396HMDB