input word = C00029628

Metabolite InformationStructural formula
Name Aceroside I
Formula C25H32O8
Mw 460.209718
CAS RN 65987-95-3
C_ID C00029628 ,
InChIKey LYWCEZCFIUWAGY-HVCBKGPLNA-N
InChICode InChI=1S/C25H32O8/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/h6-8,10-13,17,21-30H,1-5,9,14H2/t17-,21+,22+,23-,24+,25+/m0/s1
SMILES OC[C@H]1O[C@@H](Oc2ccc3cc2Oc2ccc(cc2)CC[C@@H](O)CCCC3)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAcer nikoense Ref.
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