input word = C00039125

Metabolite InformationStructural formula
Name Epicoccin B
Formula C18H18N2O7S3
Mw 470.02761314
CAS RN 952585-65-8
C_ID C00039125 ,
InChIKey SPLIJUQASWTCRI-KLDIWWNKNA-N
InChICode InChI=1S/C18H18N2O7S3/c21-6-1-7-11(23)8-4(6)2-18(30-29-7)16(27)19-9-5-3-17(19,15(26)20(8)18)28-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2/t4-,5+,7+,8-,9-,11-,12+,13+,14+,17+,18+/m0/s1
SMILES [C@@]123S[C@H]4[C@@H]([C@@H]([C@H]([C@H](C4=O)C2)N1C(=O)[C@@]12SS[C@@H]4CC(=O)[C@@H]([C@@H]([C@H]4O)N1C3=O)C2)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiIncertae sedisEpicoccum nigrum Ref.
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