input word = C00025545

Metabolite InformationStructural formula
Name Verticillin B
Formula C30H28N6O7S4
Mw 712.09023021
CAS RN 52212-86-9
C_ID C00025545 ,
InChIKey YABFNIMWFFFBHC-UHFFFAOYNA-N
InChICode InChI=1S/C30H28N6O7S4/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3/t17-,18-,19-,20-,25+,26-,27-,28-,29-,30-/m0/s1
SMILES CN1C(=O)C23SSC1(C)C(=O)N2C1Nc2ccccc2C1(C12c4ccccc4NC1N1C(=O)C4(CO)SSC1(C(=O)N4C)C2O)C3O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiPlectosphaerellaceaeVerticillium sp. Ref.
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OrganismVerticillium sp.
ReferenceMinato,J.Chem.Soc.,(1973),1819