Ontologies
CDNO
Compositional Dietary Nutrition Ontology (CDNO)
OWL
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Last submission date November 13, 2024
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ID http://purl.obolibrary.org/obo/CHEBI_31018
http://purl.obolibrary.org/obo/CHEBI_31018
https://agroportal.lirmm.fr/ontologies/CDNO/CHEBI_31018
Preferred name

(+)-gallocatechin
Synonyms
(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (+)-gallocatechol (2R,3S)-(+)-gallocatechin (2R,3S)-flavan-3,3',4',5,5',7-hexol (2R,3S)-flavan-3,5,7,3',4',5'-hexol (2R,3S)-gallocatechin gallocatechin
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Definitions
A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.

Raw data

rdf:type
rdfs:subClassOf
rdfs:label
(+)-gallocatechin
(+)-gallocatechin
skos:notation
CHEBI:31018
obo_purl:IAO_0000115
A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.
oboinowl_gen:hasExactSynonym
(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
oboinowl_gen:hasDbXref
CAS:970-73-0
Chemspider:58594
KEGG:C12127
KNApSAcK:C00008817
PMID:22430120
PMID:9741297
Reaxys:94058
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oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:31018
oboinowl_gen:inSubset
oboinowl_gen:hasRelatedSynonym
(+)-gallocatechol
(2R,3S)-(+)-gallocatechin
(2R,3S)-flavan-3,3',4',5,5',7-hexol
(2R,3S)-flavan-3,5,7,3',4',5'-hexol
(2R,3S)-gallocatechin
gallocatechin
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obo_purl:charge
0
obo_purl:formula
C15H14O7
obo_purl:inchi
InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1
obo_purl:inchikey
XMOCLSLCDHWDHP-SWLSCSKDSA-N
obo_purl:mass
306.26750
obo_purl:monoisotopicmass
306.07395
obo_purl:smiles
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
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