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CHEBI:169811 - 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one

ChEBI IDCHEBI:169811
ChEBI Name2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O7
Net Charge0
Average Mass508.611
Monoisotopic Mass508.24610
SMILESCC(C)=CCc1c(O)cc2c(c1O)C(=O)C(C/C=C(\C)CC/C=C(\C)CO)C(c1ccc(O)cc1O)O2
InChIInChI=1S/C30H36O7/c1-17(2)8-11-21-25(34)15-26-27(28(21)35)29(36)23(12-9-18(3)6-5-7-19(4)16-31)30(37-26)22-13-10-20(32)14-24(22)33/h7-10,13-15,23,30-35H,5-6,11-12,16H2,1-4H3/b18-9+,19-7+
InChIKeyPIDWSYFYWIFFGX-XYXGOGJTSA-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)
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl)-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:169811) is a flavanones (CHEBI:28863)
IUPAC Name 
2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one