input word = C00022730

Metabolite InformationStructural formula
Name (8alphaH,9alpha,12E)-12,14-Labdadiene-9,18-diol
Formula C20H34O2
Mw 306.25588033
CAS RN 72776-60-4
C_ID C00022730 ,
InChIKey BORUTNVEHDYDPQ-UHCJXWKXNA-N
InChICode InChI=1S/C20H34O2/c1-6-15(2)10-13-20(22)16(3)8-9-17-18(4,14-21)11-7-12-19(17,20)5/h6,10,16-17,21-22H,1,7-9,11-14H2,2-5H3/b15-10+/t16-,17+,18-,19+,20+/m0/s1
SMILES C1C[C@]([C@@H]2[C@@](C1)([C@]([C@H](CC2)C)(C/C=C(/C=C)\C)O)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBishovia boliviensis Ref.
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