input word = C00011160

Metabolite InformationStructural formula
Name Kaempferol 7-O-(6-trans-p-coumaroyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside
Formula C42H46O22
Mw 902.24807316
CAS RN 352644-39-4
C_ID C00011160 ,
InChIKey CYMIHPZMEGGNPY-FZIUCTQINA-N
InChICode InChI=1S/C42H46O22/c1-16-28(48)38(63-41-35(55)33(53)30(50)25(62-41)15-57-26(47)11-4-17-2-7-19(44)8-3-17)36(56)42(58-16)59-21-12-22(46)27-23(13-21)60-37(18-5-9-20(45)10-6-18)39(31(27)51)64-40-34(54)32(52)29(49)24(14-43)61-40/h2-13,16,24-25,28-30,32-36,38,40-46,48-50,52-56H,14-15H2,1H3/b11-4+/t16-,24+,25+,28-,29+,30+,32-,33-,34+,35-,36+,38+,40-,41-,42-/m0/s1
SMILES c1(c2c(cc(c1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)O)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum napellus subsp. neomontanum Ref.
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OrganismAconitum napellus subsp. neomontanum
ReferenceFico,Phytochem.,57,(2001),543