input word = C00013209

Metabolite InformationStructural formula
Name Isosmyrnicordiolide
4a,9a,10,10a-Tetrahydro-3,5,9a-trimethylfuro[2,3-h][3]benzoxepin-2(4H)-one
Formula C15H18O3
Mw 246.12559444
CAS RN 100761-29-3
C_ID C00013209 ,
InChIKey DMFSWNMSKDPBCG-UHFFFAOYNA-N
InChICode InChI=1S/C15H18O3/c1-9-8-17-5-4-15(3)7-13-11(6-12(9)15)10(2)14(16)18-13/h4-5,8,12-13H,6-7H2,1-3H3/t12-,13-,15-/m0/s1
SMILES [C@H]12[C@](C[C@H]3C(=C(C(=O)O3)C)C1)(C=COC=C2C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeSmyrnium rotundifolium Ref.
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OrganismSmyrnium rotundifolium
ReferenceUlubelen,Phytochem.,24,81985),1305

Goren,Phytochem.,24,(1985),3051