input word = C00013226

Metabolite InformationStructural formula
Name Jasomontanone
[1S-(1a,2a,4aa)]-1,2,3,4,4a,5,6,7-Octahydro-1-hydroxy-4a,8-dimethyl-7-oxo-2-naphthalenecarboxylic acid methyl ester
Formula C14H20O4
Mw 252.13615913
CAS RN 132185-85-4
C_ID C00013226 ,
InChIKey ROVPHHLNVRMBKA-VGQVBYAHNA-N
InChICode InChI=1S/C14H20O4/c1-8-10(15)5-7-14(2)6-4-9(13(17)18-3)12(16)11(8)14/h9,12,16H,4-7H2,1-3H3/t9-,12-,14+/m0/s1
SMILES C12=C(C(=O)CC[C@]2(CC[C@@H]([C@@H]1O)C(=O)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeJasonia montana Ref.
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