CHEBI:169247 - 6-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dien-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dien-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:169247
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H26O10
Net Charge 0
Average Mass 486.473
Monoisotopic Mass 486.15260
InChI InChI=1S/C25H26O10/c1-12(2)3-7-15-17(27)10-14(5-4-13-6-8-16(26)18(28)9-13)11-19(15)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h3-11,20-23,25-31H,1H2,2H3,(H,32,33)/b5-4+,7-3+
InChIKey LIXNICMVJISUQL-JLVHPEPXSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C(=C(O)C=C(C2)/C=C/C3=CC(O)=C(O)C=C3)/C=C/C(C)=C)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 6-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dien-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169247) is a glycoside (CHEBI:24400)
6-{5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dien-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169247) is a stilbenoid (CHEBI:26776)
IUPAC Name
6-[5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dienyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0129086 HMDB
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