input word = C00029214

Metabolite InformationStructural formula
Name Verticillin E
Formula C32H28N6O8S4
Mw 752.08514484
CAS RN 226905-59-5
C_ID C00029214 ,
InChIKey NZMULNGUSBQWIQ-AOCHWALCNA-N
InChICode InChI=1S/C32H28N6O8S4/c1-13(39)29-25(45)37-21-27(15-9-5-7-11-17(15)33-21,19(41)31(37,49-47-29)23(43)35(29)3)28-16-10-6-8-12-18(16)34-22(28)38-26(46)30(14(2)40)36(4)24(44)32(38,20(28)42)50-48-30/h5-12,19-22,33-34,41-42H,1-4H3/t19-,20-,21+,22+,27+,28+,29-,30-,31-,32-/m0/s1
SMILES CC(=O)C12SS[C@]3(C(=O)N1C)[C@@H](O)C1(C45c6ccccc6N[C@@H]4N4C(=O)C6(C(C)=O)SS[C@]4(C(=O)N6C)[C@H]5O)c4ccccc4N[C@@H]1N3C2=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiHypocreaceaeGliocladium catenulatum Ref.
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OrganismGliocladium catenulatum
ReferenceJoshi,J.Nat.Prod.,62,(1999),730