input word = C00029630

Metabolite InformationStructural formula
Name Aceroside IV
Formula C25H30O8
Mw 458.19406794
CAS RN 74390-30-0
C_ID C00029630 ,
InChIKey SFDBJWQZWFPYCH-LLZSANPXNA-N
InChICode InChI=1S/C25H30O8/c26-14-21-22(28)23(29)24(30)25(33-21)32-19-12-8-16-3-1-2-4-17(27)9-5-15-6-10-18(11-7-15)31-20(19)13-16/h6-8,10-13,21-26,28-30H,1-5,9,14H2/t21-,22-,23+,24-,25-/m1/s1
SMILES O=C1CCCCc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(c2)Oc2ccc(cc2)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAcer nikoense Ref.
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