input word = C00032684

Metabolite InformationStructural formula
Name Abutiloside H
Formula C46H75NO17
Mw 913.50349998
CAS RN 449176-31-2
C_ID C00032684 ,
InChIKey CUMOVBHYOAOTHH-CWKREIMHNA-N
InChICode InChI=1S/C46H75NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h8,20-22,25-28,30-44,48,51-58H,7,9-19H2,1-6H3,(H,47,49)/t20-,21-,22+,25+,26-,27+,28+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41-,42+,43-,44+,45+,46+/m1/s1
SMILES CC(=O)NCC(C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[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-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum abutiloides Ref.
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