input word = C00022487

Metabolite InformationStructural formula
Name 2-Oxo-8(17),13Z-labdadien-15-oic acid
Formula C20H30O3
Mw 318.21949482
CAS RN 107390-50-1
C_ID C00022487 ,
InChIKey JRQNECBEDKYFPC-ODIPQGBDNA-N
InChICode InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-16-14(2)7-9-17-19(3,4)11-15(21)12-20(16,17)5/h10,16-17H,2,6-9,11-12H2,1,3-5H3,(H,22,23)/b13-10-/t16-,17+,20+/m0/s1
SMILES C1(=O)CC([C@@H]2[C@](C1)([C@H](C(=C)CC2)CC/C(=C\C(=O)O)/C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNolana rostrata Ref.
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OrganismNolana rostrata
ReferenceGarbarino,Phytochem.,25,(1986),2833