EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:149630 - (2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylate

ChEBI IDCHEBI:149630
ChEBI Name(2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylate
Stars
ASCII Name(2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylate
DefinitionMajor species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H13O7
Net Charge-1
Average Mass341.295
Monoisotopic Mass341.06668
SMILESO=C1O[C@](Cc2ccc(O)cc2)(C(=O)[O-])C(c2ccc(O)cc2)=C1O
InChIInChI=1S/C18H14O7/c19-12-5-1-10(2-6-12)9-18(17(23)24)14(15(21)16(22)25-18)11-3-7-13(20)8-4-11/h1-8,19-21H,9H2,(H,23,24)/p-1/t18-/m0/s1
InChIKeyDVKOSMUSPQXJAK-SFHVURJKSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylate (CHEBI:149630) is a butenolide (CHEBI:50523)
Synonym  Source
butyrolactone IIaSUBMITTER
UniProt Name  Source
(2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylateUniProt
Citations