input word = C00032203

Metabolite InformationStructural formula
Name Stelmatotriterpenoside E
Formula C48H78O20
Mw 974.50864493
CAS RN 619308-65-5
C_ID C00032203 ,
InChIKey UAUGNOZZMKTWJB-SDJUIGFMNA-N
InChICode InChI=1S/C48H78O20/c1-43(2)11-13-48(42(62)68-41-37(61)34(58)31(55)26(66-41)19-63-39-35(59)32(56)29(53)24(17-49)64-39)14-12-46(5)21(22(48)15-43)7-8-28-44(3)16-23(52)38(45(4,20-51)27(44)9-10-47(28,46)6)67-40-36(60)33(57)30(54)25(18-50)65-40/h7,22-41,49-61H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Stelmatocrypton khasianum Ref.
zoom in