CHEBI:211718 - (2E,4E)-5-[(3S)-5-acetyl-8-(beta-D-glucopyranosyloxy)-3,4-dihydro-6-hydroxy-1-oxo-1H-2-benzopyran-3-yl]penta-2,4-dienal

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ChEBI Name (2E,4E)-5-[(3S)-5-acetyl-8-(beta-D-glucopyranosyloxy)-3,4-dihydro-6-hydroxy-1-oxo-1H-2-benzopyran-3-yl]penta-2,4-dienal
ChEBI ID CHEBI:211718
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H24O11
Net Charge 0
Average Mass 464.423
Monoisotopic Mass 464.13186
InChI InChI=1S/C22H24O11/c1-10(25)16-12-7-11(5-3-2-4-6-23)31-21(30)17(12)14(8-13(16)26)32-22-20(29)19(28)18(27)15(9-24)33-22/h2-6,8,11,15,18-20,22,24,26-29H,7,9H2,1H3/b4-2+,5-3+/t11-,15-,18-,19+,20-,22-/m1/s1
InChIKey KQYFTNXPSKTAES-YRYADJPXSA-N
SMILES O=C1O[C@H](/C=C/C=C/C=O)CC=2C1=C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)C=C(O)C2C(=O)C
Metabolite of Species Details
Cephalosporium (NCBI:txid81097) See: DOI
ChEBI Ontology
Outgoing (2E,4E)-5-[(3S)-5-acetyl-8-(beta-D-glucopyranosyloxy)-3,4-dihydro-6-hydroxy-1-oxo-1H-2-benzopyran-3-yl]penta-2,4-dienal (CHEBI:211718) is a glycoside (CHEBI:24400)
IUPAC Name
(2E,4E)-5-[(3S)-5-acetyl-6-hydroxy-1-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroisochromen-3-yl]penta-2,4-dienal
Manual Xref Database
78441499 ChemSpider
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