CHEBI:192938 - Leucopelargonidin 3-O-glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Leucopelargonidin 3-O-glucoside
ChEBI ID CHEBI:192938
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O11
Net Charge 0
Average Mass 452.412
Monoisotopic Mass 452.13186
InChI InChI=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
InChIKey PNALTUDNWNFWBW-ISGQNNRWSA-N
SMILES O([C@@H]1OC([C@@H](O)C(O)C1O)CO)[C@@H]2[C@H](OC=3C(C2O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4
Metabolite of Species Details
Cryptomeria (NCBI:txid3368) Found in needle (BTO:0000917). of strain Cryptomeria fortunei Hooibrenk See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24842614 ChemSpider
LMPK12020198 LIPID MAPS
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