input word = C00020208

Metabolite InformationStructural formula
Name Alliacide
Formula C15H22O3
Mw 250.15689457
CAS RN 79232-28-3
C_ID C00020208 ,
InChIKey FZACFLZWJQDJCT-UHFFFAOYNA-N
InChICode InChI=1S/C15H22O3/c1-8-5-6-10-9(2)11(16)17-14(10)7-13(3,4)12-15(8,14)18-12/h8-10,12H,5-7H2,1-4H3/t8-,9-,10-,12+,14+,15+/m0/s1
SMILES [C@@]123[C@@H](CC[C@@H]([C@]41[C@@H](C(C3)(C)C)O4)C)[C@@H](C(=O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMarasmiaceaeMarasmius alliaceus Ref.
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