EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139472 - (4S)-2,3-dehydroleucopelargonidin

ChEBI IDCHEBI:139472
ChEBI Name(4S)-2,3-dehydroleucopelargonidin
Stars
ASCII Name(4S)-2,3-dehydroleucopelargonidin
DefinitionA chromenol that is 2-(4-hydroxyphenyl)-4H-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7.
Last Modified16 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESOC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@H]1O
InChIInChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13,16-20H/t13-/m0/s1
InChIKeyGMICVRNSOOSANN-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S)-2,3-dehydroleucopelargonidin (CHEBI:139472) is a chromenol (CHEBI:39436)
(4S)-2,3-dehydroleucopelargonidin (CHEBI:139472) is a enol (CHEBI:33823)
(4S)-2,3-dehydroleucopelargonidin (CHEBI:139472) is a polyphenol (CHEBI:26195)
(4S)-2,3-dehydroleucopelargonidin (CHEBI:139472) is a secondary allylic alcohol (CHEBI:134396)
(4S)-2,3-dehydroleucopelargonidin (CHEBI:139472) is conjugate acid of (4S)-2,3-dehydroleucopelargonidin(1−) (CHEBI:138950)
Incoming Relation(s)
(4S)-2,3-dehydroleucopelargonidin(1−) (CHEBI:138950) is conjugate base of (4S)-2,3-dehydroleucopelargonidin (CHEBI:139472)
IUPAC Name 
(4S)-2-(4-hydroxyphenyl)-4H-1-benzopyran-3,4,5,7-tetrol
Manual XrefsDatabases
CPD-19725MetaCyc
Citations