input word = C00032202

Metabolite InformationStructural formula
Name Stellatoside B
Formula C47H74O19
Mw 942.48243018
CAS RN 949569-38-4
C_ID C00032202 ,
InChIKey VXIOOMDLMKJWCS-NRXNYMQLNA-N
InChICode InChI=1S/C47H74O19/c1-42(2)23-10-13-46(7)24(9-8-19-26-27(43(3,4)59)21-16-47(26,41(58)62-21)15-14-45(19,46)6)44(23,5)12-11-25(42)63-40-36(32(54)31(53)34(64-40)37(56)57)66-39-35(30(52)29(51)22(17-48)61-39)65-38-33(55)28(50)20(49)18-60-38/h19-36,38-40,48-55,59H,8-18H2,1-7H3,(H,56,57)/t19-,20-,21+,22-,23+,24-,25+,26-,27-,28+,29-,30+,31+,32+,33-,34+,35-,36-,38+,39+,40-,44-,45-,46-,47-/m1/s1
SMILES CC(C)(O)[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]23C[C@@H]1OC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeStenocereus eruca A.C.Gibson & K.E.Horak Ref.
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