input word = C00028125

Metabolite InformationStructural formula
Name Cystothiazole F
Formula C20H26N2O5S2
Mw 438.12831342
CAS RN 214215-13-1
C_ID C00028125 ,
InChIKey NNHQJGYIKGOYDM-HZJZZNCBNA-N
InChICode InChI=1S/C20H26N2O5S2/c1-12(9-23)19-22-15(11-29-19)20-21-14(10-28-20)6-7-16(25-3)13(2)17(26-4)8-18(24)27-5/h6-8,10-13,16,23H,9H2,1-5H3/b7-6+,17-8+/t12-,13+,16-/m0/s1
SMILES COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc(C(C)CO)n2)n1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaCystobacteraceaeCystobacter fuscus Ref.
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OrganismCystobacter fuscus
ReferenceWiliams,J.Org.Chem.,66,(2001),8463