input word = C00029626

Metabolite InformationStructural formula
Name Aceroside B2
Formula C25H32O8
Mw 460.209718
CAS RN 497178-62-8
C_ID C00029626 ,
InChIKey JTRDCQXYJNZURE-HVCBKGPLNA-N
InChICode InChI=1S/C25H32O8/c26-14-21-22(28)23(29)24(30)25(33-21)32-19-12-8-16-5-9-17(27)4-2-1-3-15-6-10-18(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 c1cc2cc(c1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)Oc1ccc(cc1)CCCC[C@@H](CC2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAcer nikoense Ref.
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OrganismAcer nikoense
ReferenceMorikawa,J.Nat.Med.,61,(2007),112