input word = C00032402

Metabolite InformationStructural formula
Name Tricalysioside O
(-)-Tricalysioside O
Formula C28H46O12
Mw 574.29892693
CAS RN 874332-47-5
C_ID C00032402 ,
InChIKey KPBCFYROXAXRQW-ZKBIJKFINA-N
InChICode InChI=1S/C28H46O12/c1-14(32)39-24-26-8-5-18-25(2,7-6-19(33)27(18,11-30)12-31)17(26)4-3-15(9-26)28(24,37)13-38-23-22(36)21(35)20(34)16(10-29)40-23/h15-24,29-31,33-37H,3-13H2,1-2H3/t15-,16-,17+,18+,19-,20-,21+,22-,23-,24-,25+,26-,28+/m1/s1
SMILES CC(=O)O[C@H]1[C@](O)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2CC[C@H]3[C@]4(C)CC[C@@H](O)C(CO)(CO)[C@H]4CC[C@@]31C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeTricalysia dubia OHWI Ref.
zoom in