input word = C00017756

Metabolite InformationStructural formula
Name Diastovaricin II
Formula C44H52N2O12S
Mw 832.32409587
CAS RN 102228-99-9
C_ID C00017756 ,
InChIKey VEDOKYSBCNXSGP-KJHSDBKZNA-N
InChICode InChI=1S/C44H52N2O12S/c1-22-12-10-8-9-11-13-34(51)46-37-41(55)30-19-27(6)40(54)36(35(30)42(56)43(37)59-21-31(44(57)58)45-28(7)47)39(53)26(5)18-25(4)38(52)24(3)15-17-29(48)16-14-23(2)33(50)20-32(22)49/h8-15,17-19,22,24-25,29,31-32,38,48-49,52,54H,16,20-21H2,1-7H3,(H,45,47)(H,46,51)(H,57,58)/b9-8+,12-10-,13-11-,17-15+,23-14+,26-18+/t22-,24-,25-,29-,31-,32-,38-/m0/s1
SMILES CC(=O)N[C@@H](CSC1=C2NC(=O)/C=CC=CC=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces diastochromogenes subsp. variabilicolor n. subsp. Ref.
zoom in