CHEBI:191790 - Kaempferol 3-(2''-rhamnosylrutinoside)

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ChEBI Name Kaempferol 3-(2''-rhamnosylrutinoside)
ChEBI ID CHEBI:191790
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H40O19
Net Charge 0
Average Mass 740.664
Monoisotopic Mass 740.21638
InChI InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)52-30-25(43)20(38)11(2)48-33(30)46-9-17-21(39)24(42)27(45)32(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3
InChIKey WQRYALSJYYLFRY-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1OCC2OC(OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C(O)C(O)C2O)C)C6OC(C(O)C(O)C6O)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing Kaempferol 3-(2''-rhamnosylrutinoside) (CHEBI:191790) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2''-rhamnosylrutinoside) (CHEBI:191790) is a glycoside (CHEBI:24400)
IUPAC Name
3-[6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual Xref Database
HMDB0037432 HMDB
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