input word = C00042248

Metabolite InformationStructural formula
Name Aspirochlorine
(+)-Aspirochlorine
Formula C12H9ClN2O5S2
Mw 359.96414058
CAS RN 59978-04-0
C_ID C00042248 ,
InChIKey XMFSSFONDVHNFO-ZFJGUCIZNA-N
InChICode InChI=1S/C12H9ClN2O5S2/c1-19-15-10(17)9-14-11(18)12(15)8(21-22-9)4-2-5(13)6(16)3-7(4)20-12/h2-3,8-9,16H,1H3,(H,14,18)/t8-,9-,12+/m0/s1
SMILES [C@]123[C@@H](SS[C@@H](C(=O)N1OC)NC3=O)c1c(O2)cc(c(c1)Cl)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus flavus Ref.
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