input word = C00022504

Metabolite InformationStructural formula
Name Methyl ent-16-methoxy-6-oxo-7,13E-labdadien-15-oate
Formula C22H34O4
Mw 362.24570957
CAS RN 88862-16-2
C_ID C00022504 ,
InChIKey RBRBCQOZLYVCRZ-JMEVOZTDNA-N
InChICode InChI=1S/C22H34O4/c1-15-12-18(23)20-21(2,3)10-7-11-22(20,4)17(15)9-8-16(14-25-5)13-19(24)26-6/h12-13,17,20H,7-11,14H2,1-6H3/b16-13+/t17-,20-,22+/m1/s1
SMILES COC/C(=C/C(=O)OC)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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