input word = C00022725

Metabolite InformationStructural formula
Name ent-3alpha-Hydroxyabienol
(ent-3alpha,8alpha,12E)-12,14-Labdadiene-8,13-diol
Formula C20H34O2
Mw 306.25588033
CAS RN 79404-48-1
C_ID C00022725 ,
InChIKey VAYVUHXFSZQOQZ-QRYOWGGDNA-N
InChICode InChI=1S/C20H34O2/c1-7-14(2)8-9-16-19(5)12-11-17(21)18(3,4)15(19)10-13-20(16,6)22/h7-8,15-17,21-22H,1,9-13H2,2-6H3/b14-8+/t15-,16+,17+,19-,20+/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@@](C1)([C@@H]([C@@](CC2)(C)O)C/C=C(/C=C)\C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGrazielia dimorpholepsis Ref.
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OrganismGrazielia dimorpholepsis
ReferenceBohlmann,Phytochem.,20,(1981),1069