input word = C00029629

Metabolite InformationStructural formula
Name Aceroside III
Formula C30H40O12
Mw 592.25197674
CAS RN 74390-29-7
C_ID C00029629 ,
InChIKey DEIACGRTXLHUPJ-UHFFFAOYNA-N
InChICode InChI=1S/C30H40O12/c31-15-30(37)16-39-29(27(30)36)38-14-23-24(33)25(34)26(35)28(42-23)41-19-4-2-1-3-18-8-12-21(32)22(13-18)40-20-10-6-17(5-9-19)7-11-20/h6-8,10-13,19,23-29,31-37H,1-5,9,14-16H2/t19-,23-,24-,25+,26-,27-,28+,29+,30-/m0/s1
SMILES OCC1(O)COC(OCC2OC(OC3CCCCc4ccc(O)c(c4)Oc4ccc(cc4)CC3)C(O)C(O)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAcer nikoense Ref.
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