input word = C00022418

Metabolite InformationStructural formula
Name 2-Oxo-12Z-ozic acid
Formula C20H28O3
Mw 316.20384476
CAS RN 85668-48-0
C_ID C00022418 ,
InChIKey JHPRIWZCNRYXGI-HIHVRXMJNA-N
InChICode InChI=1S/C20H28O3/c1-6-13(2)7-9-16-14(3)8-10-17-19(16,4)11-15(21)12-20(17,5)18(22)23/h6-7,16-17H,1,3,8-12H2,2,4-5H3,(H,22,23)/b13-7-/t16-,17+,19+,20+/m1/s1
SMILES C1(=O)C[C@@]([C@@H]2[C@@](C1)([C@@H](C(=C)CC2)C/C=C(/C)\C=C)C)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIchthyothere terminalis Ref.
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OrganismIchthyothere terminalis
ReferenceBohlmann,Phytochem.,21,(1982),2317