input word = C00022340

Metabolite InformationStructural formula
Name 8alpha,12R,13S,14S-Diepoxy-15,16-labdanediol
Formula C20H34O4
Mw 338.24570957
CAS RN 74513-42-1
C_ID C00022340 ,
InChIKey XFQYFHPEWOWCKX-CCZDSZTNNA-N
InChICode InChI=1S/C20H34O4/c1-17(2)7-5-8-18(3)13(17)6-9-19(4)14(18)10-15(23-19)20(12-22)16(11-21)24-20/h13-16,21-22H,5-12H2,1-4H3/t13-,14+,15+,16+,18-,19+,20+/m0/s1
SMILES CC1(C)CCC[C@]2(C)[C@H]3C[C@H]([C@]4(CO)O[C@@H]4CO)O[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSilphium perfoliatum Ref.
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