input word = C00022442

Metabolite InformationStructural formula
Name 7,13(16)-Labdadiene-15,19-dioic acid
Formula C20H30O4
Mw 334.21440945
CAS RN
C_ID C00022442 ,
InChIKey XGTWDFNUXUTSIZ-DYEDDOQCNA-N
InChICode InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h7,15-16H,1,5-6,8-12H2,2-4H3,(H,21,22)(H,23,24)/t15-,16-,19+,20-/m0/s1
SMILES C1C[C@]([C@@H]2[C@](C1)([C@H](C(=CC2)C)CCC(=C)CC(=O)O)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia lucida Ref.
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