input word = C00058344

Metabolite InformationStructural formula
Name Aceroside X
Formula C25H32O8
Mw 460.209718
CAS RN 130233-82-8
C_ID C00058344
InChIKey BLDFXKZUHJNHED-NHTNDUFYSA-N
InChICode InChI=1S/C25H32O8/c26-15-21-22(29)23(30)24(31)25(33-21)32-20-13-8-16(9-14-20)3-1-2-4-18(27)10-5-17-6-11-19(28)12-7-17/h6-9,11-14,21-26,28-31H,1-5,10,15H2/t21-,22-,23+,24-,25-/m1/s1
SMILES O=C(CCCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)CCc1ccc(O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Aceraceae triflorum Ref.
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