input word = C00023425

Metabolite InformationStructural formula
Name ent-15-Nor-14-oxo-8(17),12E-labdadiene-18-oic acid
Formula C19H28O3
Mw 304.20384476
CAS RN 81920-05-0
C_ID C00023425 ,
InChIKey NBGCWDAYASHSEK-ZHABBLALNA-N
InChICode InChI=1S/C19H28O3/c1-13(12-20)6-8-15-14(2)7-9-16-18(15,3)10-5-11-19(16,4)17(21)22/h6,12,15-16H,2,5,7-11H2,1,3-4H3,(H,21,22)/b13-6+/t15-,16+,18-,19+/m1/s1
SMILES C1C[C@@](C)([C@@H]2[C@](C1)([C@@H](C(=C)CC2)C/C=C(/C=O)\C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeMikania alvimii Ref.
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OrganismMikania alvimii
ReferenceBohlmann,Phytochem.,21,(1982),173