Substrate
/
Generation 1
XenoSite
Aspernigrin a
NC(=O)c1c[nH]c(Cc2ccccc2)cc1=O
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
NC=C(C(N)=O)C(=O)C=C(O)Cc1ccccc1
Copy JSON
dealkylation · 0.00
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%224.358333333333333%22%20r%3D%220.5%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%224.358333333333333%22%20r%3D%220.5%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.8660254037844386%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%221%22%20fill%3D%22rgb(30%2C94%2C255)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.5%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%223.2472222222222222%22%20r%3D%220.5%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.8660254037844386%22%20fill%3D%22rgb(0%2C200%2C37)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.5%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%222.136111111111111%22%20r%3D%220.5%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.7071067811865476%22%20fill%3D%22rgb(197%2C204%2C0)%22%2F%3E%3Ccircle%20cx%3D%221.025%22%20cy%3D%221.025%22%20r%3D%220.5%22%20fill%3D%22rgb(255%2C47%2C0)%22%2F%3E%3Cline%20x1%3D%221.025%22%20y1%3D%221.375%22%20x2%3D%221.025%22%20y2%3D%222.897222222222222%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%221.025%22%20y1%3D%223.5972222222222223%22%20x2%3D%221.025%22%20y2%3D%225.119444444444445%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%220.6749999999999999%22%20y1%3D%222.136111111111111%22%20x2%3D%221.375%22%20y2%3D%222.136111111111111%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Cline%20x1%3D%220.6749999999999999%22%20y1%3D%224.358333333333333%22%20x2%3D%221.375%22%20y2%3D%224.358333333333333%22%20stroke%3D%22%23111%22%20stroke-width%3D%220.06%22%2F%3E%3Ctext%20x%3D%221.025%22%20y%3D%221.025%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E1.0%3C%2Ftext%3E%3Ctext%20x%3D%221.025%22%20y%3D%223.2472222222222222%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E0.5%3C%2Ftext%3E%3Ctext%20x%3D%221.025%22%20y%3D%225.469444444444445%22%20text-anchor%3D%22middle%22%20dominant-baseline%3D%22central%22%20fill%3D%22%23111%22%20stroke%3D%22%23fff%22%20stroke-width%3D%220.18%22%20paint-order%3D%22stroke%22%20font-size%3D%220.72%22%20font-weight%3D%22600%22%20font-family%3D%22system-ui%2Csans-serif%22%3E0.0%3C%2Ftext%3E%3C%2Fsvg%3E){kind=small}
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22206.7%22%20cy%3D%2277.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22220.8%22%20cy%3D%2261.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22213.7%22%20cy%3D%2297.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22241.9%22%20cy%3D%2265.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22164.5%22%20cy%3D%2269.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22178.6%22%20cy%3D%2253.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22122.3%22%20cy%3D%2261.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22234.8%22%20cy%3D%22101.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22248.9%22%20cy%3D%2285.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22150.4%22%20cy%3D%2285.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22157.5%22%20cy%3D%2249.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22129.3%22%20cy%3D%2281.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22108.2%22%20cy%3D%2277.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22199.7%22%20cy%3D%2257.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2294.1%22%20cy%3D%2293.6%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22136.4%22%20cy%3D%2244.9%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2287.1%22%20cy%3D%2273.3%22%20style%3D%22fill%3Argb(202%2C222%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_27929876fd%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_27929876fd%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_27929876fd%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_27929876fd%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m81.2%2068.2l15.3%2013.2%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m94.9%2080l-4.1%2021.1%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m98.5%2080.7l-4.1%2021.1%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-1%20atom-3%22%20d%3D%22m96.5%2081.4l23.4%20-8.1%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m119.9%2073.3l4.7%20-24.3%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m124%2071.9l3.9%20-20.1%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m124.6%2049l20%20-7%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m151.6%2043.9l15.2%2013.2%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m166.8%2057.1l23.5%20-8.1%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m190.3%2049l18.7%2016.2%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m209%2065.2l-4.7%2024.4%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m212.3%2068.1l-3.9%2020.1%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m204.3%2089.6l18.8%2016.3%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m223.1%20105.9l23.4%20-8.1%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m223.9%20101.6l19.4%20-6.7%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m246.5%2097.8l4.7%20-24.4%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m251.2%2073.4l-18.7%20-16.3%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m247.2%2074.8l-15.5%20-13.4%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-6%20atom-14%22%20d%3D%22m166.8%2057.1l-4.7%2024.4%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-6%20atom-14%22%20d%3D%22m162.8%2058.5l-3.9%2020.1%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m162.1%2081.5l-23.4%208.1%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m137.1%2088.2l-4.1%2021%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-15%20atom-16%22%20d%3D%22m140.7%2088.9l-4.1%2021%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-15%20atom-3%22%20d%3D%22m138.7%2089.6l-18.8%20-16.3%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-13%20atom-8%22%20d%3D%22m232.5%2057.1l-23.5%208.1%22%2F%3E%3Cpath%20d%3D%22m95.7%2080.8l0.8%200.6%20l1.2%20-0.4%22%2F%3E%3Cpath%20d%3D%22m124.4%2050.2l0.2%20-1.2%20l1%20-0.4%22%2F%3E%3Cpath%20d%3D%22m189.1%2049.4l1.2%20-0.4%20l0.9%200.8%22%2F%3E%3Cpath%20d%3D%22m204.6%2088.4l-0.3%201.2%20l1%200.8%22%2F%3E%3Cpath%20d%3D%22m222.1%20105.1l1%200.8%20l1.2%20-0.4%22%2F%3E%3Cpath%20d%3D%22m245.4%2098.2l1.1%20-0.4%20l0.3%20-1.3%22%2F%3E%3Cpath%20d%3D%22m251%2074.6l0.2%20-1.2%20l-0.9%20-0.8%22%2F%3E%3Cpath%20d%3D%22m233.4%2057.9l-0.9%20-0.8%20l-1.2%200.4%22%2F%3E%3Cpath%20d%3D%22m162.4%2080.2l-0.3%201.3%20l-1.1%200.4%22%2F%3E%3Cpath%20d%3D%22m139.9%2089.2l-1.2%200.4%20l-1%20-0.8%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_27929876fd%22%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%2064.2%2061.7%20L%2065.1%2061.7%20L%2065.1%2064.6%20L%2068.7%2064.6%20L%2068.7%2061.7%20L%2069.7%2061.7%20L%2069.7%2068.7%20L%2068.7%2068.7%20L%2068.7%2065.4%20L%2065.1%2065.4%20L%2065.1%2068.7%20L%2064.2%2068.7%20L%2064.2%2061.7%20%22%2F%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%2071.0%2068.4%20Q%2071.2%2068.0%2C%2071.6%2067.8%20Q%2072.0%2067.5%2C%2072.6%2067.5%20Q%2073.3%2067.5%2C%2073.7%2067.9%20Q%2074.1%2068.3%2C%2074.1%2068.9%20Q%2074.1%2069.6%2C%2073.6%2070.3%20Q%2073.1%2070.9%2C%2072.0%2071.7%20L%2074.2%2071.7%20L%2074.2%2072.2%20L%2071.0%2072.2%20L%2071.0%2071.8%20Q%2071.9%2071.1%2C%2072.4%2070.7%20Q%2072.9%2070.2%2C%2073.2%2069.8%20Q%2073.4%2069.4%2C%2073.4%2069.0%20Q%2073.4%2068.5%2C%2073.2%2068.3%20Q%2073.0%2068.0%2C%2072.6%2068.0%20Q%2072.2%2068.0%2C%2072.0%2068.2%20Q%2071.7%2068.3%2C%2071.5%2068.7%20L%2071.0%2068.4%20%22%2F%3E%3Cpath%20class%3D%22atom-0%22%20d%3D%22M%2076.2%2061.7%20L%2078.5%2065.4%20Q%2078.7%2065.7%2C%2079.1%2066.4%20Q%2079.4%2067.1%2C%2079.5%2067.1%20L%2079.5%2061.7%20L%2080.4%2061.7%20L%2080.4%2068.7%20L%2079.4%2068.7%20L%2077.0%2064.6%20Q%2076.7%2064.1%2C%2076.4%2063.6%20Q%2076.1%2063.0%2C%2076.0%2062.9%20L%2076.0%2068.7%20L%2075.1%2068.7%20L%2075.1%2061.7%20L%2076.2%2061.7%20%22%2F%3E%3Cpath%20class%3D%22atom-2%22%20d%3D%22M%2088.5%20105.8%20Q%2088.5%20104.1%2C%2089.4%20103.2%20Q%2090.2%20102.2%2C%2091.8%20102.2%20Q%2093.3%20102.2%2C%2094.2%20103.2%20Q%2095.0%20104.1%2C%2095.0%20105.8%20Q%2095.0%20107.5%2C%2094.2%20108.5%20Q%2093.3%20109.5%2C%2091.8%20109.5%20Q%2090.2%20109.5%2C%2089.4%20108.5%20Q%2088.5%20107.5%2C%2088.5%20105.8%20M%2091.8%20108.7%20Q%2092.8%20108.7%2C%2093.4%20107.9%20Q%2094.0%20107.2%2C%2094.0%20105.8%20Q%2094.0%20104.4%2C%2093.4%20103.7%20Q%2092.8%20103.0%2C%2091.8%20103.0%20Q%2090.7%20103.0%2C%2090.1%20103.7%20Q%2089.5%20104.4%2C%2089.5%20105.8%20Q%2089.5%20107.2%2C%2090.1%20107.9%20Q%2090.7%20108.7%2C%2091.8%20108.7%20%22%2F%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%20146.5%2037.3%20L%20148.8%2041.1%20Q%20149.1%2041.4%2C%20149.4%2042.1%20Q%20149.8%2042.7%2C%20149.8%2042.8%20L%20149.8%2037.3%20L%20150.7%2037.3%20L%20150.7%2044.4%20L%20149.8%2044.4%20L%20147.3%2040.3%20Q%20147.0%2039.8%2C%20146.7%2039.3%20Q%20146.4%2038.7%2C%20146.3%2038.6%20L%20146.3%2044.4%20L%20145.4%2044.4%20L%20145.4%2037.3%20L%20146.5%2037.3%20%22%2F%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%20145.3%2029.6%20L%20146.3%2029.6%20L%20146.3%2032.6%20L%20149.9%2032.6%20L%20149.9%2029.6%20L%20150.8%2029.6%20L%20150.8%2036.6%20L%20149.9%2036.6%20L%20149.9%2033.4%20L%20146.3%2033.4%20L%20146.3%2036.6%20L%20145.3%2036.6%20L%20145.3%2029.6%20%22%2F%3E%3Cpath%20class%3D%22atom-16%22%20d%3D%22M%20130.8%20114.0%20Q%20130.8%20112.3%2C%20131.6%20111.3%20Q%20132.4%20110.4%2C%20134.0%20110.4%20Q%20135.5%20110.4%2C%20136.4%20111.3%20Q%20137.2%20112.3%2C%20137.2%20114.0%20Q%20137.2%20115.7%2C%20136.4%20116.6%20Q%20135.5%20117.6%2C%20134.0%20117.6%20Q%20132.4%20117.6%2C%20131.6%20116.6%20Q%20130.8%20115.7%2C%20130.8%20114.0%20M%20134.0%20116.8%20Q%20135.0%20116.8%2C%20135.6%20116.1%20Q%20136.2%20115.4%2C%20136.2%20114.0%20Q%20136.2%20112.6%2C%20135.6%20111.9%20Q%20135.0%20111.2%2C%20134.0%20111.2%20Q%20132.9%20111.2%2C%20132.3%20111.9%20Q%20131.7%20112.6%2C%20131.7%20114.0%20Q%20131.7%20115.4%2C%20132.3%20116.1%20Q%20132.9%20116.8%2C%20134.0%20116.8%20%22%2F%3E%3C%2Fg%3E%3C!--%20END%20OF%20HEADER%20--%3E%3C%2Fg%3E%3Cg%20class%3D%22overlay%22%3E%3Cg%20id%3D%22overlay_xeno_27929876fd%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B77.7%2C%2065.2%5D%2C%20%5B96.5%2C%2081.4%5D%2C%20%5B91.8%2C%20105.8%5D%2C%20%5B119.9%2C%2073.3%5D%2C%20%5B124.6%2C%2049.0%5D%2C%20%5B148.1%2C%2040.8%5D%2C%20%5B166.8%2C%2057.1%5D%2C%20%5B190.3%2C%2049.0%5D%2C%20%5B209.0%2C%2065.2%5D%2C%20%5B204.3%2C%2089.6%5D%2C%20%5B223.1%2C%20105.9%5D%2C%20%5B246.5%2C%2097.8%5D%2C%20%5B251.2%2C%2073.4%5D%2C%20%5B232.5%2C%2057.1%5D%2C%20%5B162.1%2C%2081.5%5D%2C%20%5B138.7%2C%2089.6%5D%2C%20%5B134.0%2C%20113.9%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)
