input word = C00045416

Metabolite InformationStructural formula
Name Theopederin K
Formula C32H49NO11
Mw 623.33056142
CAS RN 370086-36-5
C_ID C00045416 ,
InChIKey PSOMSXIQCPHRCJ-SZKZYCMZNA-N
InChICode InChI=1S/C32H49NO11/c1-19-17-32(40-8,44-21(3)20(19)2)27(36)29(37)33-30-26-25(41-18-42-30)28(39-7)31(4,5)23(43-26)16-22(38-6)14-12-10-9-11-13-15-24(34)35/h9,11-15,20-23,25-28,30,36H,1,10,16-18H2,2-8H3,(H,33,37)(H,34,35)/b11-9+,14-12+,15-13+/t20-,21-,22-,23-,25+,26-,27-,28-,30+,32-/m1/s1
SMILES C=C1C[C@](OC)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](C[C@@H](/C=C/C/C=C/C=C/C(=O)O)OC)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Discodermia sp. Ref.
zoom in