input word = C00022501

Metabolite InformationStructural formula
Name Methyl ent-16-acetoxy-8-oxo-8-desmethyl-6,13E-labdadien-15-oate
Formula C22H32O5
Mw 376.22497413
CAS RN 88862-13-9
C_ID C00022501 ,
InChIKey ORIDXAYUSMJEQA-QQLRXJIVNA-N
InChICode InChI=1S/C22H32O5/c1-15(23)27-14-16(13-20(25)26-5)7-8-17-18(24)9-10-19-21(2,3)11-6-12-22(17,19)4/h9-10,13,17,19H,6-8,11-12,14H2,1-5H3/b16-13+/t17-,19-,22-/m1/s1
SMILES C1CC([C@@H]2[C@](C1)([C@@H](C(=O)C=C2)CC/C(=C\C(=O)OC)/COC(=O)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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