input word = C00012834

Metabolite InformationStructural formula
Name [2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-6-oxo-2-naphthaleneacetic acid
Formula C15H20O3
Mw 248.1412445
CAS RN 88153-65-5
C_ID C00012834 ,
InChIKey MXMPLGVCLCXRPF-XKBCNMOMNA-N
InChICode InChI=1S/C15H20O3/c1-9-6-12(16)8-15(3)5-4-11(7-13(9)15)10(2)14(17)18/h6,11,13H,2,4-5,7-8H2,1,3H3,(H,17,18)/t11-,13+,15+/m1/s1
SMILES C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSchistostephium crataegifolium Ref.
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OrganismSchistostephium crataegifolium
ReferenceBohlmann,Phytochem.,22,(1983),1632

Bohlmann,Phytochem.,24,(1985),2987