input word = C00022492

Metabolite InformationStructural formula
Name 3-Oxo-18-hydroxy-8(17),13Z-labdadien-15-oic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 107390-52-3
C_ID C00022492 ,
InChIKey HWJYPRVKHDNDKE-DYEPOIKMNA-N
InChICode InChI=1S/C20H30O4/c1-13(11-18(23)24)5-7-15-14(2)6-8-16-19(15,3)10-9-17(22)20(16,4)12-21/h11,15-16,21H,2,5-10,12H2,1,3-4H3,(H,23,24)/b13-11-/t15-,16+,19+,20-/m0/s1
SMILES C1C(=O)[C@]([C@H]2[C@](C1)([C@H](C(=C)CC2)CC/C(=C\C(=O)O)/C)C)(CO)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