input word = C00022357

Metabolite InformationStructural formula
Name 8alpha,12S-Epoxy-13E-labden-1beta,6beta-diol
Formula C20H34O3
Mw 322.25079495
CAS RN 104189-02-8
C_ID C00022357 ,
InChIKey HRURXHCQQKLODO-GXUWHPBBNA-N
InChICode InChI=1S/C20H34O3/c1-7-12(2)14-10-15-19(5,23-14)11-13(21)17-18(3,4)9-8-16(22)20(15,17)6/h7,13-17,21-22H,8-11H2,1-6H3/b12-7+/t13-,14+,15+,16-,17+,19-,20+/m1/s1
SMILES C/C=C(C)[C@@H]1C[C@@H]2[C@@]3(C)[C@H](O)CCC(C)(C)[C@@H]3[C@H](O)C[C@@]2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScapaniaceaeScapania undulata Ref.
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