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 c1cc2cc(c1O)Oc1ccc(cc1)CC[C@H](CCCC2)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO[C@H]1[C@@H]([C@@](CO1)(CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAcer nikoense Ref.
zoom in