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CHEBI:208057 - (4S,5R)-5-[(alpha-D-glucopyranosyl) oxy]-4-hydroxy-3-(E-1-propenyl)-2-cyclopenten-1-one

ChEBI IDCHEBI:208057
ChEBI Name(4S,5R)-5-[(alpha-D-glucopyranosyl) oxy]-4-hydroxy-3-(E-1-propenyl)-2-cyclopenten-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O8
Net Charge0
Average Mass316.306
Monoisotopic Mass316.11582
SMILESC/C=C/C1=CC(=O)[C@H](OC2OC(CO)C(O)C(O)C2O)[C@H]1O
InChIInChI=1S/C14H20O8/c1-2-3-6-4-7(16)13(9(6)17)22-14-12(20)11(19)10(18)8(5-15)21-14/h2-4,8-15,17-20H,5H2,1H3/b3-2+/t8?,9-,10?,11?,12?,13-,14?/m0/s1
InChIKeyQZILCMMQASUSFP-KZMPCSPVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (18776656)
ChEBI Ontology
Outgoing Relation(s)
(4S,5R)-5-[(alpha-D-glucopyranosyl) oxy]-4-hydroxy-3-(E-1-propenyl)-2-cyclopenten-1-one (CHEBI:208057) is a glycoside (CHEBI:24400)
IUPAC Name 
(4S,5R)-4-hydroxy-3-[(E)-prop-1-enyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-one