input word = C00023516

Metabolite InformationStructural formula
Name ent-3alpha,4alpha-Epoxy-15-clerodanoic acid
Formula C20H34O3
Mw 322.25079495
CAS RN 118173-05-0
C_ID C00023516 ,
InChIKey BICYIDCEMFENPE-FQMYXIPKNA-N
InChICode InChI=1S/C20H34O3/c1-13(12-17(21)22)8-10-18(3)14(2)9-11-19(4)15(18)6-7-16-20(19,5)23-16/h13-16H,6-12H2,1-5H3,(H,21,22)/t13-,14-,15-,16-,18+,19-,20-/m1/s1
SMILES C1[C@@H]2[C@@]([C@]3([C@H](C1)[C@]([C@@H](CC3)C)(CC[C@@H](C)CC(=O)O)C)C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina saltillensis Ref.
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OrganismAgeratina saltillensis
ReferenceFang,Phytochem.,27,(1988),3187