CHEBI:197081 - Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside

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ChEBI Name Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
ChEBI ID CHEBI:197081
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H38O19
Net Charge 0
Average Mass 726.637
Monoisotopic Mass 726.20073
InChI InChI=1S/C32H38O19/c1-10-19(37)28(50-30-24(42)20(38)15(36)8-45-30)26(44)31(47-10)46-9-17-21(39)23(41)25(43)32(49-17)51-29-22(40)18-14(35)6-13(34)7-16(18)48-27(29)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,28,30-39,41-44H,8-9H2,1H3/t10?,15-,17?,19+,20+,21+,23+,24?,25?,26+,28?,30+,31-,32+/m1/s1
InChIKey PHKFQMUSOLODBO-UTWWYSCBSA-N
SMILES O1[C@@H](OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C(O)[C@@H](O)[C@H]2O)[C@@H](O)C(O[C@@H]6OC[C@@H](O)[C@H](O)C6O)[C@@H](O)C1C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside (CHEBI:197081) is a flavonoids (CHEBI:72544)
Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside (CHEBI:197081) is a glycoside (CHEBI:24400)
IUPAC Name
3-[(2S,4S,5R)-6-[[(2R,3S,5S)-3,5-dihydroxy-6-methyl-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual Xrefs Databases
24844654 ChemSpider
LMPK12111912 LIPID MAPS
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