input word = C00005203

Metabolite InformationStructural formula
Name Kaempferol 3-isorhamninoside
Formula C33H40O19
Mw 740.2163791
CAS RN 123618-28-0
C_ID C00005203 ,
InChIKey YZCAVCYYHPLAIN-LIUMSOLRNA-N
InChICode InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17-,19-,20-,22-,23+,24+,25+,26-,27-,28-,31+,32-,33-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeActinidiaceaeActinidia arguta Ref.
PlantaeActinidiaceaeActinidia polygama Ref.
PlantaeFabaceaeMacroptilium lathyroides Ref.
PlantaeFabaceaePhaseolus lunatus Ref.
PlantaeFabaceaeVigna luteola Ref.
PlantaeRhamnaceaeRhamnus nakaharai Ref.
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