input word = C00022238

Metabolite InformationStructural formula
Name (E)-ent-3beta-Hydroxy-2-oxo-7,13-labdadien-15-al
Formula C20H30O3
Mw 318.21949482
CAS RN
C_ID C00022238 ,
InChIKey UUEMHYJUQLXVQF-WBUDAKACNA-N
InChICode InChI=1S/C20H30O3/c1-13(10-11-21)6-8-15-14(2)7-9-17-19(3,4)18(23)16(22)12-20(15,17)5/h7,10-11,15,17-18,23H,6,8-9,12H2,1-5H3/b13-10+/t15-,17-,18-,20-/m1/s1
SMILES C1(=O)[C@H](C([C@@H]2[C@](C1)([C@@H](C(=CC2)C)CC/C(=C\C=O)/C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis boliviensis Ref.
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