CHEBI:169046 - Schizotenuin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Schizotenuin F
ChEBI ID CHEBI:169046
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H24O12
Net Charge 0
Average Mass 552.488
Monoisotopic Mass 552.12678
InChI InChI=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-
InChIKey JRSJLGASDWZQGF-ILWOKKNDSA-N
SMILES O(C(CC1=CC(O)=C(O)C=C1)C(O)=O)C(=O)/C=C/C2=CC(O)=C(O/C(=C\C3=CC(O)=C(O)C=C3)/C(OC)=O)C=C2
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
8523023 ChemSpider
HMDB0034585 HMDB
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