input word = C00013800

Metabolite InformationStructural formula
Name Kaempferol 3-(6'''-(E)-p-coumaroylglucosyl)-(1->2)-glucoside-7-rhamnoside
7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C42H46O22
Mw 902.24807316
CAS RN 626255-30-9
C_ID C00013800 ,
InChIKey KLAVZGAWRTUTCM-MLSGIDRXNA-N
InChICode InChI=1S/C42H46O22/c1-16-28(48)32(52)35(55)40(58-16)59-21-12-22(46)27-23(13-21)60-37(18-5-9-20(45)10-6-18)38(31(27)51)63-42-39(34(54)29(49)24(14-43)61-42)64-41-36(56)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-7-19(44)8-3-17/h2-13,16,24-25,28-30,32-36,39-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24-,25+,28-,29+,30+,32+,33-,34-,35-,36+,39+,40-,41-,42-/m0/s1
SMILES CC1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)C4O)c(-c4ccc(O)cc4)oc3c2)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum napellus Ref.
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