input word = C00022578

Metabolite InformationStructural formula
Name 7-Oxo-13,14-dihydrokolavenic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 129350-04-5
C_ID C00022578 ,
InChIKey AKLLLKUMCSIQMZ-CGRQKKJQNA-N
InChICode InChI=1S/C20H32O3/c1-13(11-18(22)23)9-10-19(4)15(3)16(21)12-20(5)14(2)7-6-8-17(19)20/h7,13,15,17H,6,8-12H2,1-5H3,(H,22,23)/t13-,15+,17+,19-,20-/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@]([C@@H](C(=O)C2)C)(CC[C@@H](CC(=O)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia paniculata Ref.
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OrganismPteronia paniculata
ReferenceZdero,Phytochem.,29,(1990),1231