input word = C00023386

Metabolite InformationStructural formula
Name ent-16-Acetoxy-8-oxo-17-nor-6,13E-labdadien-15-oic acid
Formula C21H30O5
Mw 362.20932407
CAS RN
C_ID C00023386 ,
InChIKey OIBHYUYKCMPFJH-MOZABBINNA-N
InChICode InChI=1S/C21H30O5/c1-14(22)26-13-15(12-19(24)25)6-7-16-17(23)8-9-18-20(2,3)10-5-11-21(16,18)4/h8-9,12,16,18H,5-7,10-11,13H2,1-4H3,(H,24,25)/b15-12+/t16-,18-,21+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@@H](C(=O)C=C2)CC/C(=C\C(=O)O)/COC(=O)C)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