input word = C00022516

Metabolite InformationStructural formula
Name ent-8beta,17-Epoxy-3-oxo-13Z-labden-15-oic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 74513-98-7
C_ID C00022516 ,
InChIKey VTYVGGMVEWOKQM-TWWKPZPJNA-N
InChICode InChI=1S/C20H30O4/c1-13(11-17(22)23)5-6-15-19(4)9-8-16(21)18(2,3)14(19)7-10-20(15)12-24-20/h11,14-15H,5-10,12H2,1-4H3,(H,22,23)/b13-11-/t14-,15+,19+,20+/m1/s1
SMILES C1C(=O)C([C@@H]2[C@](C1)([C@@H]([C@@]1(CC2)OC1)CC/C(=C\C(=O)O)/C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAyapana amygdalina Ref.
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