Substrate
/
Generation 1
XenoSite
Antinonnin
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC1=C(O)C([N+](=O)[O-])=CC2([N+](=O)[O-])OC12
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 2
Select a metabolite to form the next generation.
glucuronidation
Probability 1.00
1.00
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2267.6%22%20cy%3D%2265.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22151.1%22%20cy%3D%22109.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22145.3%22%20cy%3D%2272.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2281.2%22%20cy%3D%2282.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22121.9%22%20cy%3D%22133.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22153.1%22%20cy%3D%2252.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2259.8%22%20cy%3D%2286.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22102.5%22%20cy%3D%2279.4%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22123.9%22%20cy%3D%2276.0%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2294.7%22%20cy%3D%2299.6%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22137.5%22%20cy%3D%2292.9%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22108.3%22%20cy%3D%22116.4%22%20style%3D%22fill%3Argb(248%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22129.7%22%20cy%3D%22113.1%22%20style%3D%22fill%3Argb(229%2C238%2C255)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_d14103fb70%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_d14103fb70%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_d14103fb70%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23000000%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_d14103fb70%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m123.8%20145.6l-3.8%20-24.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m120%20120.9l-23.3%20-9%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m119.3%20116.6l-19.3%20-7.4%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m96.7%20111.9l-3.9%20-24.7%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m92.8%2087.2l-19.8%20-7.6%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m64.8%2079.6l-11.9%209.5%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m67.2%2082.5l-11.9%209.6%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-4%20atom-6%22%20d%3D%22m68.8%2073.8l-2.4%20-15.8%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-3%20atom-7%22%20d%3D%22m92.8%2087.2l19.5%20-15.7%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-3%20atom-7%22%20d%3D%22m96.8%2088.8l16.1%20-13%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m112.3%2071.5l23.3%209%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m135.6%2080.5l15.9%20-12.8%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m156.2%2060.2l-2.5%20-15.8%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m152.5%2060.8l-2.5%20-15.8%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-9%20atom-11%22%20d%3D%22m158.5%2066.2l15.8%206.1%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-8%20atom-12%22%20d%3D%22m135.6%2080.5l3.8%2024.7%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-8%20atom-12%22%20d%3D%22m132.2%2083.3l3.2%2020.4%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m139.4%20105.2l19.3%207.5%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-12%20atom-1%22%20d%3D%22m139.4%20105.2l-19.4%2015.7%22%2F%3E%3Cpath%20d%3D%22m97.8%20112.4l-1.1%20-0.5%20l-0.2%20-1.2%22%2F%3E%3Cpath%20d%3D%22m111.3%2072.3l1%20-0.8%20l1.1%200.5%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_d14103fb70%22%3E%3Cpath%20class%3D%22atom-4%22%20d%3D%22M%2067.9%2074.7%20L%2070.3%2078.4%20Q%2070.5%2078.8%2C%2070.9%2079.5%20Q%2071.2%2080.1%2C%2071.2%2080.2%20L%2071.2%2074.7%20L%2072.2%2074.7%20L%2072.2%2081.7%20L%2071.2%2081.7%20L%2068.7%2077.6%20Q%2068.4%2077.2%2C%2068.1%2076.6%20Q%2067.8%2076.1%2C%2067.7%2075.9%20L%2067.7%2081.7%20L%2066.8%2081.7%20L%2066.8%2074.7%20L%2067.9%2074.7%20%22%2F%3E%3Cpath%20class%3D%22atom-4%22%20d%3D%22M%2073.5%2075.9%20L%2074.8%2075.9%20L%2074.8%2074.6%20L%2075.3%2074.6%20L%2075.3%2075.9%20L%2076.6%2075.9%20L%2076.6%2076.4%20L%2075.3%2076.4%20L%2075.3%2077.7%20L%2074.8%2077.7%20L%2074.8%2076.4%20L%2073.5%2076.4%20L%2073.5%2075.9%20%22%2F%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%2046.8%2093.9%20Q%2046.8%2092.2%2C%2047.6%2091.3%20Q%2048.5%2090.3%2C%2050.0%2090.3%20Q%2051.6%2090.3%2C%2052.5%2091.3%20Q%2053.3%2092.2%2C%2053.3%2093.9%20Q%2053.3%2095.6%2C%2052.4%2096.6%20Q%2051.6%2097.6%2C%2050.0%2097.6%20Q%2048.5%2097.6%2C%2047.6%2096.6%20Q%2046.8%2095.6%2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C%2Fsvg%3E)
[O-])=CC2([N+](=O)[O-])OC12 UGT Conjugation prediction](data:image/svg+xml;utf8,%3C%3Fxml%20version%3D%221.0%22%20%3F%3E%3Csvg%20xmlns%3D%22http%3A%2F%2Fwww.w3.org%2F2000%2Fsvg%22%20xmlns%3Axlink%3D%22http%3A%2F%2Fwww.w3.org%2F1999%2Fxlink%22%20version%3D%221.1%22%20baseProfile%3D%22full%22%20xml%3Aspace%3D%22preserve%22%20width%3D%22186.0%22%20height%3D%22168.2%22%20viewBox%3D%2218.7%2011.1%20186.0%20168.2%22%3E%3Cg%20class%3D%22shading%22%3E%3Cg%20id%3D%22shading_xeno_9573428e2f%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22102.1%22%20cy%3D%22125.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22114.9%22%20cy%3D%2276.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2284.3%22%20cy%3D%22107.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2290.7%22%20cy%3D%2283.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22126.3%22%20cy%3D%22118.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22132.7%22%20cy%3D%2294.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22150.4%22%20cy%3D%2276.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2295.7%22%20cy%3D%22149.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2272.9%22%20cy%3D%2265.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22150.5%22%20cy%3D%22111.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22143.9%22%20cy%3D%2252.2%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22174.7%22%20cy%3D%2282.8%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2248.7%22%20cy%3D%2271.9%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2279.3%22%20cy%3D%2241.1%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%2218.0%22%20cx%3D%2260.0%22%20cy%3D%22113.9%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%2215.6%22%20cx%3D%2260.0%22%20cy%3D%22113.9%22%20style%3D%22fill%3Argb(0%2C200%2C36)%22%2F%3E%3Ccircle%20r%3D%2212.7%22%20cx%3D%2260.0%22%20cy%3D%22113.9%22%20style%3D%22fill%3Argb(197%2C204%2C0)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2260.0%22%20cy%3D%22113.9%22%20style%3D%22fill%3Argb(254%2C48%2C0)%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22mol_halo%22%20style%3D%22stroke%3Awhite%3Bopacity%3A0.5%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22mol_halo_xeno_9573428e2f%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_9573428e2f%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_9573428e2f%22%20style%3D%22stroke-width%3A2.0%22%2F%3E%3C%2Fg%3E%3Cg%20class%3D%22lines%22%20style%3D%22stroke%3A%23000000%3Bstroke-width%3A2.0%3Bstroke-opacity%3A1%3Bstroke-linecap%3Around%3Bstroke-linejoin%3Around%22%3E%3Cg%20id%3D%22lines_xeno_9573428e2f%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m95.7%20149.3l6.4%20-24.3%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m102.1%20125l-17.8%20-17.7%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m103.2%20120.8l-14.7%20-14.6%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m84.3%20107.3l-20.2%205.5%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-2%20atom-4%22%20d%3D%22m84.3%20107.3l6.4%20-24.2%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m90.7%2083.1l-14.3%20-14.2%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m68.9%2064.5l-16.6%204.5%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m69.9%2068.1l-16.7%204.5%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-5%20atom-7%22%20d%3D%22m74%2061l4.1%20-15.4%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-4%20atom-8%22%20d%3D%22m90.7%2083.1l24.2%20-6.6%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-4%20atom-8%22%20d%3D%22m93.8%2086.1l20%20-5.4%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m114.9%2076.5l17.8%2017.7%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m132.7%2094.2l14.2%20-14.3%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m151.1%2071.5l-4.2%20-15.3%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m147.4%2072.5l-4.1%20-15.3%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-10%20atom-12%22%20d%3D%22m153.9%2077.3l16.7%204.4%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-9%20atom-13%22%20d%3D%22m132.7%2094.2l13.7%2013.6%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m146.4%20113l-20.1%205.5%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-1%22%20d%3D%22m126.3%20118.5l-24.2%206.5%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-14%20atom-9%22%20d%3D%22m126.3%20118.5l6.4%20-24.3%22%2F%3E%3Cpath%20d%3D%22m113.7%2076.8l1.2%20-0.3%20l0.9%200.9%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%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