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CHEBI:192938 - Leucopelargonidin 3-O-glucoside

ChEBI IDCHEBI:192938
ChEBI NameLeucopelargonidin 3-O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESOCC1O[C@@H](O[C@H]2C(O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)C(O)C(O)[C@@H]1O
InChIInChI=1S/C21H24O11/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/h1-6,13,15-29H,7H2/t13?,15-,16?,17?,18?,19-,20+,21+/m1/s1
InChIKeyPNALTUDNWNFWBW-ISGQNNRWSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Leucopelargonidin 3-O-glucoside (CHEBI:192938) is a flavonoids (CHEBI:72544)
Leucopelargonidin 3-O-glucoside (CHEBI:192938) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S)-2-(4-hydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromene-4,5,7-triol
Manual XrefsDatabases
LMPK12020198LIPID MAPS
24842614ChemSpider