CHEBI:177952 - Kaempferol 3-(3Rha-glucosylrutinoside)

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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-(3Rha-glucosylrutinoside)
ChEBI ID CHEBI:177952
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H40O20
Net Charge 0
Average Mass 756.663
Monoisotopic Mass 756.21129
InChI InChI=1S/C33H40O20/c1-10-19(38)29(52-32-25(44)23(42)20(39)16(8-34)50-32)27(46)31(48-10)47-9-17-21(40)24(43)26(45)33(51-17)53-30-22(41)18-14(37)6-13(36)7-15(18)49-28(30)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,29,31-40,42-46H,8-9H2,1H3/t10?,16?,17?,19-,20+,21+,23-,24?,25?,26?,27?,29-,31+,32-,33-/m0/s1
InChIKey MFIXKYXSBNIMPX-CJJSDWCWSA-N
SMILES O([C@@H]1C(O)[C@@H](OC([C@@H]1O)C)OCC2O[C@@H](OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C(O)C(O)[C@@H]2O)[C@@H]6OC([C@@H](O)[C@H](O)C6O)CO
Metabolite of Species Details
Bombyx mori (NCBI:txid7091) Found in hemolymph (BTO:0000572).
ChEBI Ontology
Outgoing Kaempferol 3-(3Rha-glucosylrutinoside) (CHEBI:177952) is a flavonoids (CHEBI:72544)
Kaempferol 3-(3Rha-glucosylrutinoside) (CHEBI:177952) is a glycoside (CHEBI:24400)
IUPAC Name
3-[(2S,5S)-6-[[(2R,4S,5S)-3,5-dihydroxy-6-methyl-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-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
24844490 ChemSpider
LMPK12111746 LIPID MAPS
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