input word = C00040484

Metabolite InformationStructural formula
Name Theopederin J
(+)-Theopederin J
Formula C32H51NO11
Mw 625.34621148
CAS RN 252733-64-5
C_ID C00040484 ,
InChIKey SDDFXIKNCCXKIS-UWOUXUDANA-N
InChICode InChI=1S/C32H51NO11/c1-19-17-32(39,44-21(3)20(19)2)27(37)29(38)33-30-26-25(41-18-42-30)28(40-6)31(4,5)23(43-26)16-22(34)14-12-10-8-7-9-11-13-15-24(35)36/h9,11,13,15,20-23,25-28,30,34,37,39H,1,7-8,10,12,14,16-18H2,2-6H3,(H,33,38)(H,35,36)/b11-9+,15-13+/t20-,21-,22-,23-,25+,26-,27-,28-,30+,32-/m1/s1
SMILES C=C1C[C@](O)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@H](O)CCCCC/C=C/C=C/C(=O)O)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro Cholesterol
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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