CHEBI:176244 - Kaempferol 3-xylosylglucoside

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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-xylosylglucoside
ChEBI ID CHEBI:176244
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H28O15
Net Charge 0
Average Mass 580.495
Monoisotopic Mass 580.14282
InChI InChI=1S/C26H28O15/c27-7-14-17(31)21(35)25(39-14)37-8-15-18(32)20(34)22(36)26(40-15)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m1/s1
InChIKey XZTRGHMNLXAJPZ-DGBSRBSYSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO[C@@H]5O[C@@H]([C@H](O)[C@H]5O)CO
ChEBI Ontology
Outgoing Kaempferol 3-xylosylglucoside (CHEBI:176244) is a flavonoids (CHEBI:72544)
Kaempferol 3-xylosylglucoside (CHEBI:176244) is a glycoside (CHEBI:24400)
IUPAC Name
3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual Xrefs Databases
30777351 ChemSpider
HMDB0039507 HMDB
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