input word = C00022356

Metabolite InformationStructural formula
Name 8alpha,12S-Epoxy-13E-labden-1beta-ol
Formula C20H34O2
Mw 306.25588033
CAS RN 104189-10-8
C_ID C00022356 ,
InChIKey JBQIJRIILPMQRP-VCXDNFAGNA-N
InChICode InChI=1S/C20H34O2/c1-7-13(2)14-12-16-19(5,22-14)11-8-15-18(3,4)10-9-17(21)20(15,16)6/h7,14-17,21H,8-12H2,1-6H3/b13-7+/t14-,15-,16-,17+,19+,20-/m0/s1
SMILES C1CC([C@H]2[C@]([C@@H]1O)([C@@H]1[C@@](CC2)(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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OrganismScapania undulata
ReferenceHuneck,J. Chem. Res. (S),(1986),162