input word = C00012838

Metabolite InformationStructural formula
Name 9beta-Acetoxy-4,5-dehydro-4(15)-dihydrocostic acid
[2S-(2alpha,4alpha,4aalpha)]-4-(acetyloxy)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid
Formula C17H24O4
Mw 292.16745925
CAS RN 111394-37-7
C_ID C00012838 ,
InChIKey SJYHSBXOBJXDKM-OAWSJUATNA-N
InChICode InChI=1S/C17H24O4/c1-10-6-5-7-17(4)14(10)8-13(11(2)16(19)20)9-15(17)21-12(3)18/h13,15H,2,5-9H2,1,3-4H3,(H,19,20)/t13-,15-,17-/m0/s1
SMILES C=C(C(=O)O)[C@H]1CC2=C(C)CCC[C@]2(C)[C@@H](OC(C)=O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia tournefortiana Ref.
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