kaempferol 3-O-beta-D-glucoside(1-) (CHEBI:169942)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169942 - kaempferol 3-O-β-D-glucoside(1−)

Take structure to advanced search

ChEBI ID	CHEBI:169942
ChEBI Name	kaempferol 3-O-β-D-glucoside(1−)
Stars
ASCII Name	kaempferol 3-O-beta-D-glucoside(1-)
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C21H19O11
Net Charge	-1
Average Mass	447.372
Monoisotopic Mass	447.09329
SMILES	O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc([O-])cc(O)c12
InChI	InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/p-1/t13-,15-,17+,18-,21+/m1/s1
InChIKey	JPUKWEQWGBDDQB-QSOFNFLRSA-M

ChEBI Ontology

Outgoing Relation(s)
	kaempferol 3-O-β-D-glucoside(1−) (CHEBI:169942) is a flavonol 3-O-β-D-glucoside (CHEBI:16816)
	kaempferol 3-O-β-D-glucoside(1−) (CHEBI:169942) is conjugate base of kaempferol 3-O-β-D-glucoside (CHEBI:30200)
Incoming Relation(s)
	kaempferol 3-O-β-D-glucoside (CHEBI:30200) is conjugate acid of kaempferol 3-O-β-D-glucoside(1−) (CHEBI:169942)

UniProt Name	Source
kaempferol 3-O-β-D-glucoside	UniProt

Manual Xrefs	Databases
CPD1F-453	MetaCyc

Citations