input word = C00022739

Metabolite InformationStructural formula
Name ent-7,13Z-Labdadiene-15,16,17-triol
Formula C20H34O3
Mw 322.25079495
CAS RN 77820-47-4
C_ID C00022739 ,
InChIKey QKFYQBBBSKOMPQ-SPGKWMGVNA-N
InChICode InChI=1S/C20H34O3/c1-19(2)10-4-11-20(3)17(7-5-15(13-22)9-12-21)16(14-23)6-8-18(19)20/h6,9,17-18,21-23H,4-5,7-8,10-14H2,1-3H3/b15-9-/t17-,18-,20+/m1/s1
SMILES C1CC([C@@H]2[C@@](C1)([C@@H](C(=CC2)CO)CC/C(=C/CO)/CO)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchyrocline alata Ref.
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OrganismAchyrocline alata
ReferenceBohlmann,Phytochem.,19,(1980),2475