input word = C00045802

Metabolite InformationStructural formula
Name Cortamidine oxide
Formula C13H17N3O4S2
Mw 343.06604751
CAS RN 338797-41-4
C_ID C00045802 ,
InChIKey LEYBVURHXWEUTG-UEQNJFAPNA-N
InChICode InChI=1S/C13H17N3O4S2/c17-13(18)10(14-11-5-1-3-7-15(11)19)9-21-22-12-6-2-4-8-16(12)20/h2,4,6,8,10,14H,1,3,5,7,9H2,(H,17,18)/t10-/m0/s1
SMILES O=C(O)[C@H](CSSc1cccc[n+]1[O-])NC1=[N+]([O-])CCCC1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
FungiCortinariaceaeCortinarius sp. Ref.
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OrganismCortinarius sp.
ReferenceNicholas,J.Nat.Prod.,64,(2001),341