input word = C00018905

Metabolite InformationStructural formula
Name Enniatin B
Formula C33H57N3O9
Mw 639.40948044
CAS RN 917-13-5
C_ID C00018905 ,
InChIKey MIZMDSVSLSIMSC-HIBXDJKANA-N
InChICode InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1
SMILES O1C(=O)[C@@H](N(C)C(=O)[C@H](OC(=O)[C@@H](N(C)C(=O)[C@H](OC(=O)[C@@H](N(C(=O)[C@H]1C(C)C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiDothideomycetesAlternaria sp. Ref.
FungiNectriaceaeFusarium sp. Ref.
zoom in