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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

ChEBI IDCHEBI:211718
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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O11
Net Charge0
Average Mass464.423
Monoisotopic Mass464.13186
SMILESCC(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c1C[C@@H](/C=C/C=C/C=O)OC2=O
InChIInChI=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
InChIKeyKQYFTNXPSKTAES-YRYADJPXSA-N
Species of MetaboliteComponentSourceComments
Cephalosporium (ncbitaxon:81097) - DOI (10.1002/hlca.200490261)
ChEBI Ontology
Outgoing Relation(s)
(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
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78441499ChemSpider