CHEBI:140101 - kaempferol 3-rhamnosyl-(1→3)(4'''-p-coumarylrhamnosyl)(1→6)-glucoside

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ChEBI Name kaempferol 3-rhamnosyl-(1→3)(4'''-p-coumarylrhamnosyl)(1→6)-glucoside
ChEBI ID CHEBI:140101
ChEBI ASCII Name kaempferol 3-rhamnosyl-(1->3)(4'''-p-coumarylrhamnosyl)(1->6)-glucoside
Stars This entity has been manually annotated by a third party.
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Formula C42H46O21
Net Charge 0
Average Mass 886.804
Monoisotopic Mass 886.25316
InChI InChI=1S/C42H46O21/c1-16-28(48)31(51)33(53)41(57-16)63-39-35(55)40(58-17(2)36(39)61-26(47)12-5-18-3-8-20(43)9-4-18)56-15-25-29(49)32(52)34(54)42(60-25)62-38-30(50)27-23(46)13-22(45)14-24(27)59-37(38)19-6-10-21(44)11-7-19/h3-14,16-17,25,28-29,31-36,39-46,48-49,51-55H,15H2,1-2H3/b12-5+/t16?,17?,25-,28+,29-,31?,32?,33+,34?,35+,36+,39?,40-,41+,42+/m1/s1
InChIKey QUIFLOHEQCSIKG-NFRROFDLSA-N
SMILES C=1(C=C(C2=C(C1)OC(=C(C2=O)O[C@H]3C(C([C@@H]([C@H](O3)CO[C@H]4[C@H](C([C@H](C(O4)C)OC(=O)/C=C/C5=CC=C(C=C5)O)O[C@H]6[C@H](C([C@H](C(O6)C)O)O)O)O)O)O)O)C7=CC=C(C=C7)O)O)O
ChEBI Ontology
Outgoing kaempferol 3-rhamnosyl-(1→3)(4'''-p-coumarylrhamnosyl)(1→6)-glucoside (CHEBI:140101) is a flavonoids (CHEBI:72544)
kaempferol 3-rhamnosyl-(1→3)(4'''-p-coumarylrhamnosyl)(1→6)-glucoside (CHEBI:140101) is a glycoside (CHEBI:24400)
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Last Modified
13 February 2018