input word = C00013801

Metabolite InformationStructural formula
Name Kaempferol 3-apioside-7-rhamnosyl-(1->6)-(2''-(E)-caffeoylglactoside)
Formula C41H44O22
Mw 888.23242309
CAS RN 474779-40-3
C_ID C00013801 ,
InChIKey AUTADROYLXMWLA-LAVDUGODNA-N
InChICode InChI=1S/C41H44O22/c1-16-28(48)31(51)33(53)38(58-16)56-13-25-29(49)32(52)36(62-26(47)9-3-17-2-8-21(44)22(45)10-17)39(61-25)59-20-11-23(46)27-24(12-20)60-34(18-4-6-19(43)7-5-18)35(30(27)50)63-40-37(54)41(55,14-42)15-57-40/h2-12,16,25,28-29,31-33,36-40,42-46,48-49,51-55H,13-15H2,1H3/b9-3+/t16-,25-,28-,29+,31+,32-,33-,36+,37+,38-,39+,40-,41-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@](O)(CO)CO1)O)c(cc(c2)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)O)O)O)O)OC(=O)/C=C/c1cc(c(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilphium perfoliatum Ref.
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