input word = C00018837

Metabolite InformationStructural formula
Name Melinacidin IV
Formula C30H28N6O8S4
Mw 728.08514484
CAS RN 37934-52-4
C_ID C00018837 ,
InChIKey VGJIEAUSEFTEPX-LPLSAZKTNA-N
InChICode InChI=1S/C30H28N6O8S4/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18+,19-,20+,25-,26?,27?,28+,29+,30?/m0/s1
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]([C@]45C(=O)N([C@@](C(=O)N4[C@H]1Nc1c3cccc1)(SS5)CO)C)O)SS2)C)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcrostalagmus cinnabarinus var. melinacidinus Ref.
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