input word = C00022505

Metabolite InformationStructural formula
Name Methyl ent-16-hydroxy-6-oxo-7,13E-labdadien-15-oate
Formula C21H32O4
Mw 348.23005951
CAS RN 88862-08-2
C_ID C00022505 ,
InChIKey QZOREQONWBPULW-PSJSVCNWNA-N
InChICode InChI=1S/C21H32O4/c1-14-11-17(23)19-20(2,3)9-6-10-21(19,4)16(14)8-7-15(13-22)12-18(24)25-5/h11-12,16,19,22H,6-10,13H2,1-5H3/b15-12+/t16-,19-,21+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@@H](C(=CC2=O)C)CC/C(=C\C(=O)OC)/CO)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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OrganismAcritopappus confertus
ReferenceBohlmann,Phytochem.,22,(1983),2243