input word = C00012843

Metabolite InformationStructural formula
Name Chenopodienolone
(6R-cis)-6,7,8,8a-Tetrahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
Formula C15H22O2
Mw 234.16197995
CAS RN 74799-42-1
C_ID C00012843 ,
InChIKey BCAFBFZQLANMLN-VFYXSWHGNA-N
InChICode InChI=1S/C15H22O2/c1-10-7-12(16)9-15(4)6-5-11(8-13(10)15)14(2,3)17/h7-8,11,17H,5-6,9H2,1-4H3/t11-,15+/m1/s1
SMILES C1(=CC(=O)C[C@]2(C1=C[C@@H](CC2)C(C)(C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium botrys Ref.
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