input word = C00012758

Metabolite InformationStructural formula
Name [4aS-(4aalpha,6alpha,8aalpha)]-4a,5,6,7,8,8a-Hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-2(1H)-naphthalenone
Formula C15H22O
Mw 218.16706532
CAS RN 86917-80-8
C_ID C00012758 ,
InChIKey IVZATFCVCDHOLU-FJBXCPOZNA-N
InChICode InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,12,14H,1,5-6,8-9H2,2-4H3/t12-,14-,15+/m1/s1
SMILES C1(=CC(=O)C[C@]2([C@@H]1C[C@@H](CC2)C(=C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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