input word = C00018907

Metabolite InformationStructural formula
Name Enniatin A1
Formula C35H61N3O9
Mw 667.44078057
CAS RN 4530-21-6
C_ID C00018907 ,
InChIKey OWUREPXBPJFMOK-TXYKVCPPNA-N
InChICode InChI=1S/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24+,25+,26+,27-,28-,29-/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@H](C)CC)C(C)C)[C@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiDothideomycetesAlternaria sp. Ref.
FungiNectriaceaeFusarium sp. Ref.
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OrganismFusarium sp.
ReferenceMcKee,J. Nat. Prod.,60,(1997),431