input word = C00022360

Metabolite InformationStructural formula
Name 8alpha,12S-Epoxy-13E-labden-6beta-ol
Formula C20H34O2
Mw 306.25588033
CAS RN 104189-01-7
C_ID C00022360 ,
InChIKey LNAOVKVRRZWZJC-LAAMNWIBNA-N
InChICode InChI=1S/C20H34O2/c1-7-13(2)15-11-16-19(5)10-8-9-18(3,4)17(19)14(21)12-20(16,6)22-15/h7,14-17,21H,8-12H2,1-6H3/b13-7+/t14-,15+,16-,17+,19-,20-/m1/s1
SMILES C1CC([C@H]2[C@](C1)([C@@H]1[C@@](C[C@H]2O)(O[C@@H](C1)/C(=C/C)/C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScapaniaceaeScapania undulata Ref.
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