input word = C00022464

Metabolite InformationStructural formula
Name 3-Oxo-7,13E-labdadien-15-oic acid
Formula C20H30O3
Mw 318.21949482
CAS RN 73695-96-2
C_ID C00022464 ,
InChIKey ZDGKOLMZPXXBIZ-JMQQGEAYNA-N
InChICode InChI=1S/C20H30O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h7,12,15-16H,6,8-11H2,1-5H3,(H,22,23)/b13-12+/t15-,16-,20-/m0/s1
SMILES CC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeChrysothamnus nauseosus Ref.
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