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CHEBI:169046 - Schizotenuin F

ChEBI IDCHEBI:169046
ChEBI NameSchizotenuin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O12
Net Charge0
Average Mass552.488
Monoisotopic Mass552.12678
SMILESCOC(=O)/C(=C/c1ccc(O)c(O)c1)Oc1ccc(/C=C/C(=O)OC(Cc2ccc(O)c(O)c2)C(=O)O)cc1O
InChIInChI=1S/C28H24O12/c1-38-28(37)25(14-17-3-7-19(30)21(32)12-17)39-23-8-4-15(10-22(23)33)5-9-26(34)40-24(27(35)36)13-16-2-6-18(29)20(31)11-16/h2-12,14,24,29-33H,13H2,1H3,(H,35,36)/b9-5+,25-14-
InChIKeyJRSJLGASDWZQGF-ILWOKKNDSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Schizotenuin F (CHEBI:169046) has functional parent pyruvic acid (CHEBI:32816)
Schizotenuin F (CHEBI:169046) is a 2-oxo monocarboxylic acid (CHEBI:35910)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-[(Z)-1-(3,4-dihydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy-3-hydroxyphenyl]prop-2-enoyl]oxypropanoic acid
Manual XrefsDatabases
8523023ChemSpider
HMDB0034585HMDB