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CHEBI:229159 - Macranthoin F

ChEBI IDCHEBI:229159
ChEBI NameMacranthoin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O12
Net Charge0
Average Mass530.482
Monoisotopic Mass530.14243
SMILESCOC(=O)C1(O)CC(O)C(OC(=O)/C=C/c2ccc(O)c(O)c2)C(OC(=O)/C=C/c2ccc(O)c(O)c2)C1
InChIInChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+
InChIKeyPKJBSZTYNDRXEQ-KBXRYBNXSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Macranthoin F (CHEBI:229159) is a quinic acid (CHEBI:26493)
IUPAC Name 
methyl 3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
Manual XrefsDatabases
4477533ChemSpider