input word = C00012412

Metabolite InformationStructural formula
Name 4,7,8,11-Tetrahydro-3,6,10-trimethylfuro[2,3-b]oxacycloundecin-2(12aH)-one
8,9-Epoxy-8,9-secoglechomonolide
Formula C15H20O3
Mw 248.1412445
CAS RN 94444-44-7
C_ID C00012412 ,
InChIKey CJMJPQQIHVKOOH-SJUGDSPGNA-N
InChICode InChI=1S/C15H20O3/c1-10-5-4-6-11(2)9-17-15-13(8-7-10)12(3)14(16)18-15/h6-7,15H,4-5,8-9H2,1-3H3/b10-7+,11-6-/t15-/m0/s1
SMILES C1C2=C(C(=O)O[C@@H]2OC/C(=C\CC/C(=C/1)/C)/C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeSmyrnium rotundifolium Ref.
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