CHEBI:190824 - 6-{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:190824
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O10
Net Charge 0
Average Mass 488.489
Monoisotopic Mass 488.16825
InChI InChI=1S/C25H28O10/c1-25(2,33)10-9-16-17(26)11-14(12-18(16)27)4-3-13-5-7-15(8-6-13)34-24-21(30)19(28)20(29)22(35-24)23(31)32/h3-12,19-22,24,26-30,33H,1-2H3,(H,31,32)/b4-3+,10-9+
InChIKey LTTCPCKCBQKXFO-SCPMJEMWSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/C3=CC(O)=C(\C=C\C(O)(C)C)C(O)=C3)C(O)=O
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190824) is a glycoside (CHEBI:24400)
6-{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190824) is a stilbenoid (CHEBI:26776)
IUPAC Name
6-[4-[(E)-2-[3,5-dihydroxy-4-[(E)-3-hydroxy-3-methylbut-1-enyl]phenyl]ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0128998 HMDB
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