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CHEBI:139471 - (4S)-2,3-dehydroleucocyanidin

Default Structure
ChEBI IDCHEBI:139471
ChEBI Name(4S)-2,3-dehydroleucocyanidin
Stars
ASCII Name(4S)-2,3-dehydroleucocyanidin
DefinitionA chromenol that is 2-(3,4-dihydroxyphenyl)-4H-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7.
Last Modified16 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC15H12O7
Net Charge0
Average Mass304.254
Monoisotopic Mass304.05830
SMILESOC1=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/t13-/m0/s1
InChIKeyYAAGNRWEJSZFLV-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S)-2,3-dehydroleucocyanidin (CHEBI:139471) is a chromenol (CHEBI:39436)
(4S)-2,3-dehydroleucocyanidin (CHEBI:139471) is a enol (CHEBI:33823)
(4S)-2,3-dehydroleucocyanidin (CHEBI:139471) is a polyphenol (CHEBI:26195)
(4S)-2,3-dehydroleucocyanidin (CHEBI:139471) is a secondary allylic alcohol (CHEBI:134396)
(4S)-2,3-dehydroleucocyanidin (CHEBI:139471) is conjugate acid of (4S)-2,3-dehydroleucocyanidin(1−) (CHEBI:138948)
Incoming Relation(s)
(4S)-2,3-dehydroleucocyanidin(1−) (CHEBI:138948) is conjugate base of (4S)-2,3-dehydroleucocyanidin (CHEBI:139471)
IUPAC Name 
(4S)-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-3,4,5,7-tetrol
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CPD-19726MetaCyc
Citations