input word = C00038160

Metabolite InformationStructural formula
Name 13-Desmethylspirolide C
Formula C42H61NO7
Mw 691.44480331
CAS RN 334974-07-1
C_ID C00038160 ,
InChIKey TWYUDVVIPSUDIG-QOMWVZHYNA-N
InChICode InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20-21,28-29,31-32,34-36,44,46H,1,8-19,22-24H2,2-7H3/b26-20-/t28-,29-,31+,32-,34+,35-,36+,39+,40-,41+,42+/m1/s1
SMILES C1C(=C([C@H]2[C@]3(C1)C(=NC[C@H]([C@@H](C3)C)C)CCCC(=C)C[C@@H]1CC[C@@]([C@@]3(CC[C@]4(CC[C@H](C[C@H](/C(=C\2)/C)O)O4)O3)O1)(O)C)C)[C@H]1OC(=O)C(=C1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
--GonyaulacaceaeAlexandrium ostenfeldii Ref.
zoom in