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CHEBI:168412 - 3-(2,4-dihydroxy-5-methoxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one

ChEBI IDCHEBI:168412
ChEBI Name3-(2,4-dihydroxy-5-methoxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESCOc1cc(/C=C/C(=O)c2c(O)cc(O)c(CC=C(C)C)c2O)c(O)cc1O
InChIInChI=1S/C21H22O7/c1-11(2)4-6-13-16(24)10-18(26)20(21(13)27)14(22)7-5-12-8-19(28-3)17(25)9-15(12)23/h4-5,7-10,23-27H,6H2,1-3H3/b7-5+
InChIKeyVZKHNGGQXUALMM-FNORWQNLSA-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)
3-(2,4-dihydroxy-5-methoxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one (CHEBI:168412) is a chalcones (CHEBI:23086)
IUPAC Name 
(E)-3-(2,4-dihydroxy-5-methoxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
Manual XrefsDatabases
74852977ChemSpider