input word = C00012206

Metabolite InformationStructural formula
Name [3aS-(3aR*,6E,10E,11aS*)]-2,3,3a,4,5,8,9,11a-Octahydro-6-methyl-3-methylene-2-oxocyclodeca[b]furan-10-carboxylic acid
Formula C15H18O4
Mw 262.12050906
CAS RN 126721-45-7
C_ID C00012206 ,
InChIKey QGBJYBAYHYMEBA-URTCINMRNA-N
InChICode InChI=1S/C15H18O4/c1-9-4-3-5-11(14(16)17)8-13-12(7-6-9)10(2)15(18)19-13/h4,8,12-13H,2-3,5-7H2,1H3,(H,16,17)/b9-4-,11-8+/t12-,13-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/C(=O)O)CC/C=C(/C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctotis revoluta Ref.
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