CHEBI:168037 - Kaempferol 3-alpha-D-galactoside

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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 Kaempferol 3-alpha-D-galactoside
ChEBI ID CHEBI:168037
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O11
Net Charge 0
Average Mass 448.380
Monoisotopic Mass 448.10056
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/t13?,15-,17?,18?,21+/m0/s1
InChIKey JPUKWEQWGBDDQB-DHTVHLPASA-N
SMILES O1C([C@H](O)C(O)C(O)[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Kaempferol 3-alpha-D-galactoside (CHEBI:168037) is a flavonoids (CHEBI:72544)
Kaempferol 3-alpha-D-galactoside (CHEBI:168037) is a glycoside (CHEBI:24400)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24844408 ChemSpider
LMPK12111662 LIPID MAPS
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