input word = C00022741

Metabolite InformationStructural formula
Name ent-16-Hydroxy-17-oxo-7,13Z-Labdadiene-15-oic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 78796-25-5
C_ID C00022741 ,
InChIKey NYVSMUINRJWNRV-KEOOSQAONA-N
InChICode InChI=1S/C20H30O4/c1-19(2)9-4-10-20(3)16(15(13-22)6-8-17(19)20)7-5-14(12-21)11-18(23)24/h6,11,13,16-17,21H,4-5,7-10,12H2,1-3H3,(H,23,24)/b14-11-/t16-,17-,20+/m1/s1
SMILES CC1(C)CCC[C@@]2(C)[C@H](CC/C(=C/C(=O)O)CO)C(C=O)=CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcritopappus confertus Ref.
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OrganismAcritopappus confertus
ReferenceBohlmann,Phytochem.,19,(1980),2695