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CHEBI:169196 - 4-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid

ChEBI IDCHEBI:169196
ChEBI Name4-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H28O10
Net Charge0
Average Mass536.533
Monoisotopic Mass536.16825
SMILESCC12CC(c3ccc(O)cc3O)C(C(=O)O)C(c3c(O)ccc(C(=O)CCc4ccc(O)cc4O)c3O)C1O2
InChIInChI=1S/C29H28O10/c1-29-12-18(16-6-5-15(31)11-22(16)35)23(28(37)38)25(27(29)39-29)24-20(33)9-7-17(26(24)36)19(32)8-3-13-2-4-14(30)10-21(13)34/h2,4-7,9-11,18,23,25,27,30-31,33-36H,3,8,12H2,1H3,(H,37,38)
InChIKeyQSAMMCCRIHLJCC-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)
4-(2,4-dihydroxyphenyl)-2-{3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl}-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid (CHEBI:169196) is a chalcones (CHEBI:23086)
IUPAC Name 
4-(2,4-dihydroxyphenyl)-2-[3-[3-(2,4-dihydroxyphenyl)propanoyl]-2,6-dihydroxyphenyl]-6-methyl-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
Manual XrefsDatabases
74886639ChemSpider
HMDB0126483HMDB