input word = C00023442

Metabolite InformationStructural formula
Name ent-15-Hydroxy-1(10),13E-Halimadiene-2alpha-one
Formula C20H32O2
Mw 304.24023027
CAS RN 107390-14-7
C_ID C00023442 ,
InChIKey NSPVQWDBJCPQCW-JBXAMFDCNA-N
InChICode InChI=1S/C20H32O2/c1-14(9-11-21)8-10-20(5)15(2)6-7-17-18(20)12-16(22)13-19(17,3)4/h9,12,15,17,21H,6-8,10-11,13H2,1-5H3/b14-9+/t15-,17+,20+/m1/s1
SMILES C1(=O)CC([C@@H]2C(=C1)[C@]([C@@H](CC2)C)(CC/C(=C/CO)/C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis polifolia Ref.
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OrganismBaccharis polifolia
ReferenceZdero,Phytochem.,25,(1986),2841