input word = C00011159

Metabolite InformationStructural formula
Name Kaempferol 7-O-(6-trans-caffeoyl)-beta-glucopyranosyl-(1->3)-alpha-rhamnopyranoside-3-O-beta-glucopyranoside
Formula C42H46O23
Mw 918.24298778
CAS RN 352644-38-3
C_ID C00011159 ,
InChIKey ZFAHFNHITMYOLF-ILIZHIDSNA-N
InChICode InChI=1S/C42H46O23/c1-15-28(49)38(64-41-35(56)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)36(57)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)39(31(27)52)65-40-34(55)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,38,40-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,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/c1cc(c(cc1)O)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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