CHEBI:189525 - 6-o-[(2e)-3-(4-hydroxyphenyl)-2-propenoyl]-1-o-[(2e)-3-phenyl-2-propenoyl]-beta-d-glucopyranose

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ChEBI Name 6-o-[(2e)-3-(4-hydroxyphenyl)-2-propenoyl]-1-o-[(2e)-3-phenyl-2-propenoyl]-beta-d-glucopyranose
ChEBI ID CHEBI:189525
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H24O9
Net Charge 0
Average Mass 456.447
Monoisotopic Mass 456.14203
InChI InChI=1S/C24H24O9/c25-17-10-6-16(7-11-17)8-12-19(26)31-14-18-21(28)22(29)23(30)24(32-18)33-20(27)13-9-15-4-2-1-3-5-15/h1-13,18,21-25,28-30H,14H2/b12-8+,13-9+/t18-,21-,22+,23-,24+/m1/s1
InChIKey BRXADWYLMDAXBU-FLXITYBYSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C2=CC=CC=C2)COC(=O)/C=C/C3=CC=C(O)C=C3
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-o-[(2e)-3-(4-hydroxyphenyl)-2-propenoyl]-1-o-[(2e)-3-phenyl-2-propenoyl]-beta-d-glucopyranose (CHEBI:189525) is a glycoside (CHEBI:24400)
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl] (E)-3-phenylprop-2-enoate
Manual Xref Database
22913502 ChemSpider
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