input word = C00015959

Metabolite InformationStructural formula
Name Epicorazine C
Formula C18H18N2O7S2
Mw 438.05554241
CAS RN 138937-26-5
C_ID C00015959 ,
InChIKey NCDIBOQDVNONGL-NPYQOQGWNA-N
InChICode InChI=1S/C18H18N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-7,9,11-14,22,24-25H,3-5H2/t6-,7+,9+,11+,12+,13+,14+,17-,18-/m1/s1
SMILES O=C1C=C[C@H](O)[C@@H]2[C@@H]1C[C@@]13SS[C@]4(C[C@H]5C(=O)C[C@H](O)[C@H](O)[C@H]5N4C1=O)C(=O)N23
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiStereaceaeStereum hirsutum HKI 0195 Ref.
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OrganismStereum hirsutum HKI 0195
ReferenceKleinwachter,J.Antibiotics 54,(2001),521