input word = C00022768

Metabolite InformationStructural formula
Name 7,13-Labdadien-15,16-olid-19-oic acid
Formula C20H28O4
Mw 332.19875938
CAS RN 73489-06-2
C_ID C00022768 ,
InChIKey ZATVCCDJRSRELS-DYEDDOQCNA-N
InChICode InChI=1S/C20H28O4/c1-13-5-8-16-19(2,9-4-10-20(16,3)18(22)23)15(13)7-6-14-11-17(21)24-12-14/h5,11,15-16H,4,6-10,12H2,1-3H3,(H,22,23)/t15-,16+,19+,20-/m0/s1
SMILES C1C[C@]([C@H]2[C@](C1)([C@H](C(=CC2)C)CCC1=CC(=O)OC1)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia lucida Ref.
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OrganismGutierrezia lucida
ReferenceBohlmann,Phytochem.,18,(1979),1533