EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189495 - (2e)-3-[4-({2-o-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-d-glucopyranosyl}oxy)-3-methoxyphenyl]acrylic acid

ChEBI IDCHEBI:189495
ChEBI Name(2e)-3-[4-({2-o-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-d-glucopyranosyl}oxy)-3-methoxyphenyl]acrylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O13
Net Charge0
Average Mass488.442
Monoisotopic Mass488.15299
SMILESCOc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O
InChIInChI=1S/C21H28O13/c1-30-12-6-10(3-5-14(24)25)2-4-11(12)32-19-17(16(27)15(26)13(7-22)33-19)34-20-18(28)21(29,8-23)9-31-20/h2-6,13,15-20,22-23,26-29H,7-9H2,1H3,(H,24,25)/b5-3+/t13-,15-,16+,17-,18+,19-,20+,21-/m1/s1
InChIKeyWJKBOZUMKGXZHT-ODBGGHPZSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
(2e)-3-[4-({2-o-[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-d-glucopyranosyl}oxy)-3-methoxyphenyl]acrylic acid (CHEBI:189495) is a glycoside (CHEBI:24400)
IUPAC Name 
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-methoxyphenyl]prop-2-enoic acid
Manual XrefsDatabases
29814865ChemSpider