input word = C00027797

Metabolite InformationStructural formula
Name Abutiloside A
Formula C49H83NO17
Mw 957.56610023
CAS RN 171864-79-2
C_ID C00027797 ,
InChIKey BSGSYVLWGDQPMA-PQPMSKIYNA-N
InChICode InChI=1S/C49H83NO17/c1-8-23(3)44(61)50-19-22(2)9-12-31(52)24(4)35-32(53)18-30-28-11-10-26-17-27(13-15-48(26,6)29(28)14-16-49(30,35)7)64-46-41(60)39(58)42(34(20-51)65-46)66-47-43(38(57)36(55)25(5)63-47)67-45-40(59)37(56)33(54)21-62-45/h22-30,32-43,45-47,51,53-60H,8-21H2,1-7H3,(H,50,61)/t22-,23-,24-,25+,26+,27+,28-,29+,30+,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,45+,46-,47+,48+,49+/m1/s1
SMILES CCC(C)C(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum abutiloides Ref.
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