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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylate

ChEBI ID	CHEBI:149630

ChEBI ASCII Name	(2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylate

Definition	Major species at pH 7.3.

Stars	This entity has been manually annotated by a third party.

Submitter	Anne Morgat

Supplier Information

Download	Molfile XML SDF

Formula

C18H13O7

Net Charge

-1

Average Mass

341.296

Monoisotopic Mass

341.06668

InChI

InChI=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

InChIKey

DVKOSMUSPQXJAK-SFHVURJKSA-M

SMILES

C1(O)=C([C@@](C([O-])=O)(OC1=O)CC2=CC=C(C=C2)O)C3=CC=C(C=C3)O

ChEBI Ontology
Outgoing	(2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylate (CHEBI:149630) is a butenolide (CHEBI:50523)

Synonyms	Sources
(2S)-2-(4-hydoxybenzyl)-3-(4-hydroxyphenyl)-2-furonol carboxylate	UniProt
butyrolactone IIa	SUBMITTER