input word = C00058346

Metabolite InformationStructural formula
Name Aceroside XIII
Formula C25H34O8
Mw 462.22536806
CAS RN 156312-15-1
C_ID C00058346
InChIKey KDQGRLNHKIGLNJ-WRFXXRSISA-N
InChICode InChI=1S/C25H34O8/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/h6-9,11-14,18,21-31H,1-5,10,15H2/t18-,21-,22-,23+,24-,25-/m1/s1
SMILES OC[C@H]1O[C@@H](Oc2ccc(CCCC[C@@H](O)CCc3ccc(O)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Aceraceae triflorum Ref.
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