input word = C00012836

Metabolite InformationStructural formula
Name 3-Oxocostusic acid
(2R-cis)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-7-oxo-2-naphthaleneacetic acid
Formula C15H20O3
Mw 248.1412445
CAS RN 62458-42-8
C_ID C00012836 ,
InChIKey RDGFGQJFNSCICW-VFYXSWHGNA-N
InChICode InChI=1S/C15H20O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h11H,1,4-8H2,2-3H3,(H,17,18)/t11-,15+/m1/s1
SMILES C1(=C2[C@](CCC1=O)(CC[C@H](C2)C(=C)C(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia achalensis Ref.
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