CHEBI:196982 - Kaempferol 3-glucosyl-(1->6)-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-glucosyl-(1->6)-galactoside
ChEBI ID CHEBI:196982
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O16
Net Charge 0
Average Mass 610.521
Monoisotopic Mass 610.15338
InChI InChI=1S/C27H30O16/c28-7-14-17(32)20(35)22(37)26(41-14)39-8-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-12(31)5-11(30)6-13(16)40-24(25)9-1-3-10(29)4-2-9/h1-6,14-15,17-18,20-23,26-33,35-38H,7-8H2/t14?,15?,17-,18+,20+,21?,22?,23?,26-,27+/m1/s1
InChIKey BITPRCODIALMOV-ZUHAHAJGSA-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[C@@H]5OC([C@@H](O)[C@H](O)C5O)CO
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-glucosyl-(1->6)-galactoside (CHEBI:196982) is a flavonoids (CHEBI:72544)
Kaempferol 3-glucosyl-(1->6)-galactoside (CHEBI:196982) is a glycoside (CHEBI:24400)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24844412 ChemSpider
LMPK12111667 LIPID MAPS
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