input word = C00058345

Metabolite InformationStructural formula
Name Aceroside XII
Formula C30H42O12
Mw 594.26762681
CAS RN 156312-14-0
C_ID C00058345
InChIKey LWKTZNWGJCDICZ-UHFFFAOYSA-N
InChICode InChI=1S/C30H42O12/c31-16-30(38)17-40-29(27(30)37)39-15-23-24(34)25(35)26(36)28(42-23)41-22-13-8-18(9-14-22)3-1-2-4-20(32)10-5-19-6-11-21(33)12-7-19/h6-9,11-14,20,23-29,31-38H,1-5,10,15-17H2
SMILES OCC1(O)COC(OCC2OC(Oc3ccc(CCCCC(O)CCc4ccc(O)cc4)cc3)C(O)C(O)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Aceraceae triflorum Ref.
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