CDNO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_75721 http://purl.obolibrary.org/obo/CHEBI_75721 https://agroportal.lirmm.fr/ontologies/CDNO/CHEBI_75721 Loading
Preferred name	kaempferol 3-O-glucuronide
Synonyms	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranosiduronic acid Kaempferol 3-glucuronide kaempferol 3-O-beta-D-glucopyranosiduronic acid kaempferol 3-O-beta-D-glucoronopyranoside
Definitions	A kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 3-position.

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24698 Loading
rdfs:label	kaempferol 3-O-glucuronide
skos:notation	CHEBI:75721
obo_purl:IAO_0000115	A kaempferol O-glucuronide that is kaempferol with a beta-D-glucosiduronic acid residue attached at the 3-position.
oboinowl_gen:hasExactSynonym	5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranosiduronic acid
oboinowl_gen:hasDbXref	LIPID_MAPS_instance:LMPK12111843 Reaxys:1277549
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:75721
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
oboinowl_gen:hasRelatedSynonym	Kaempferol 3-glucuronide kaempferol 3-O-beta-D-glucopyranosiduronic acid kaempferol 3-O-beta-D-glucoronopyranoside
obo_purl:charge	0
obo_purl:formula	C21H18O12
obo_purl:inchi	InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1
obo_purl:inchikey	FNTJVYCFNVUBOL-ZUGPOPFOSA-N
obo_purl:mass	462.36040
obo_purl:monoisotopicmass	462.07983
obo_purl:smiles	O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

Subject	Author	Type	Created
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