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CHEBI:138948 - (4S)-2,3-dehydroleucocyanidin(1−)

Default Structure
ChEBI IDCHEBI:138948
ChEBI Name(4S)-2,3-dehydroleucocyanidin(1−)
Stars
ASCII Name(4S)-2,3-dehydroleucocyanidin(1-)
DefinitionAn organic anion that is the conjugate base of (4S)-2,3-dehydroleucocyanidin, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified16 January 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H11O7
Net Charge-1
Average Mass303.246
Monoisotopic Mass303.05103
SMILES[O-]C1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@H]1O
InChIInChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,16-21H/p-1/t13-/m0/s1
InChIKeyYAAGNRWEJSZFLV-ZDUSSCGKSA-M
ChEBI Ontology
Outgoing Relation(s)
(4S)-2,3-dehydroleucocyanidin(1−) (CHEBI:138948) is a organic anion (CHEBI:25696)
(4S)-2,3-dehydroleucocyanidin(1−) (CHEBI:138948) is conjugate base of (4S)-2,3-dehydroleucocyanidin (CHEBI:139471)
Incoming Relation(s)
(4S)-2,3-dehydroleucocyanidin (CHEBI:139471) is conjugate acid of (4S)-2,3-dehydroleucocyanidin(1−) (CHEBI:138948)
IUPAC Name 
(4S)-2-(3,4-dihydroxyphenyl)-4,5,7-trihydroxy-4H-1-benzopyran-3-olate
UniProt Name  Source
(4S)-2,3-dehydroleucocyanidinUniProt
Manual XrefsDatabases
CPD-19726MetaCyc
Citations