input word = C00012699

Metabolite InformationStructural formula
Name [4aR-(4aalpha,5alpha,6beta,8abeta)]-5-(Acetyloxy)-4a,5,6,7,8,8a-hexahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
Formula C17H26O4
Mw 294.18310932
CAS RN 74799-30-7
C_ID C00012699 ,
InChIKey CZJSYUCQNFGHTH-KHFKIWBHNA-N
InChICode InChI=1S/C17H26O4/c1-10-8-12(19)9-17(5)7-6-13(16(3,4)20)15(14(10)17)21-11(2)18/h8,13-15,20H,6-7,9H2,1-5H3/t13-,14-,15+,17+/m1/s1
SMILES C1(=CC(=O)C[C@]2([C@H]1[C@H]([C@@H](CC2)C(O)(C)C)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium botrys Ref.
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