input word = C00018906

Metabolite InformationStructural formula
Name Enniatin B1
Formula C34H59N3O9
Mw 653.4251305
CAS RN 19914-20-6
C_ID C00018906 ,
InChIKey UQCSETXJXJTMKO-VHJSHKFCNA-N
InChICode InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23+,24+,25+,26-,27-,28-/m1/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@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
FungiDothideomycetesAlternaria sp. Ref.
FungiNectriaceaeFusarium sp. Ref.
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