input word = C00018793

Metabolite InformationStructural formula
Name Verticillin A
(+)-Verticillin A
Formula C30H28N6O6S4
Mw 696.09531559
CAS RN 32164-16-2
C_ID C00018793 ,
InChIKey IMGTYEJTVRXGLW-XEMYVZOZNA-N
InChICode InChI=1S/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18+,19+,20-,25-,26+,27+,28-,29-,30+
SMILES CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2C1Nc2ccccc2[C@@]1(C12c4ccccc4N[C@H]1N1C(=O)[C@@]4(C)SS[C@@]1(C(=O)N4C)[C@@H]2O)[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
FungiHypocreaceaeGliocladium roseum Ref.
FungiPlectosphaerellaceaeVerticillium sp. TM-759 Ref.
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OrganismVerticillium sp. TM-759
ReferenceKatagiri,J. Antibiotics 23,(1970),420