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 [C@]12(N(C(=O)[C@@]3(N(C1=O)[C@@H]1[C@]([C@@H]3O)(c3c(N1)cccc3)[C@]13[C@H](N4[C@@]5([C@@H]1O)C(=O)N([C@@](C4=O)(SS5)C)C)Nc1c3cccc1)SS2)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
FungiHypocreaceaeGliocladium roseum Ref.
FungiPlectosphaerellaceaeVerticillium sp. TM-759 Ref.
zoom in