input word = C00063231

Metabolite InformationStructural formula
Name (3S,4aS,5R)-2,3,4,4a,5,6-Hexahydro-4a,5-dimethyl-3-(1-methylethenyl)-1,7-naphthalenedione
Formula C15H20O2
Mw 232.14632988
CAS RN 86925-44-2
C_ID C00063231
InChIKey CEDQTRQWBOXWOT-HFAKWTLXSA-N
InChICode InChI=1S/C15H20O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h7,10-11H,1,5-6,8H2,2-4H3/t10-,11-,15+/m1/s1
SMILES C=C(C)C1CC(=O)C2=CC(=O)CC(C)C2(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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