XenoSite
Benazolin ethyl ester
CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Select a metabolite to form the next generation.
epoxidation
Probability 0.17
0.17
epoxidation
Probability 0.05
0.05
epoxidation
Probability 0.05
0.05
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.00
0.00
Showing 5 of 6 metabolites
Show all
%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%22194.1%22%20cy%3D%2246.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22198.4%22%20cy%3D%22110.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22179.2%22%20cy%3D%2283.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2292.5%22%20cy%3D%2273.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22179.1%22%20cy%3D%22116.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22114.1%22%20cy%3D%2275.3%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22135.6%22%20cy%3D%2277.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2270.9%22%20cy%3D%2270.6%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22198.5%22%20cy%3D%2289.9%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22157.0%22%20cy%3D%22119.8%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22122.8%22%20cy%3D%2295.2%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22196.3%22%20cy%3D%2268.3%22%20style%3D%22fill%3Argb(251%2C252%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22167.2%22%20cy%3D%2299.9%22%20style%3D%22fill%3Argb(247%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22235.8%22%20cy%3D%2286.1%22%20style%3D%22fill%3Argb(223%2C235%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22213.9%22%20cy%3D%2255.7%22%20style%3D%22fill%3Argb(206%2C224%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22218.2%22%20cy%3D%2298.8%22%20style%3D%22fill%3Argb(205%2C223%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22233.6%22%20cy%3D%2264.6%22%20style%3D%22fill%3Argb(99%2C152%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_3268c24c76%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_3268c24c76%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_3268c24c76%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_3268c24c76%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m60.8%2063.2l20.2%2014.8%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m81%2078l18.9%20-8.3%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m108%2070.9l16.2%2011.8%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m122.4%2081.4l-2.3%2021.6%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m126.1%2081.8l-2.3%2021.6%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-3%20atom-5%22%20d%3D%22m124.2%2082.7l22.9%20-10.1%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m147.1%2072.6l16.7%2012.2%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m167.3%2091.8l-0.1%2020.7%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m167.2%20110.1l-17.3%2012.5%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m169.4%20113.2l-17.3%2012.5%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-7%20atom-9%22%20d%3D%22m167.2%20112.5l20.7%206.8%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-9%20atom-10%22%20d%3D%22m194.1%20116.1l11.7%20-16%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m205.8%20100.1l24.9%20-2.5%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m207.6%2096.1l20.6%20-2.1%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m230.7%2097.6l10.3%20-22.9%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m241%2074.7l-14.7%20-20.3%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m236.7%2075.2l-12.2%20-16.8%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m226.3%2054.4l-24.9%202.5%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m201.4%2056.9l-13.3%20-18.5%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-14%20atom-16%22%20d%3D%22m201.4%2056.9l-10.3%2022.9%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-14%20atom-16%22%20d%3D%22m203.9%2060.4l-8.4%2018.9%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-16%20atom-6%22%20d%3D%22m191.1%2079.8l-20.3%206.5%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-16%20atom-10%22%20d%3D%22m191.1%2079.8l14.7%2020.3%22%2F%3E%3Cpath%20d%3D%22m80%2077.3l1%200.7%20l1%20-0.4%22%2F%3E%3Cpath%20d%3D%22m123.4%2082.1l0.8%200.6%20l1.1%20-0.5%22%2F%3E%3Cpath%20d%3D%22m145.9%2073.1l1.2%20-0.5%20l0.8%200.6%22%2F%3E%3Cpath%20d%3D%22m167.2%20111.4l0%201.1%20l1%200.3%22%2F%3E%3Cpath%20d%3D%22m229.5%2097.7l1.2%20-0.1%20l0.5%20-1.2%22%2F%3E%3Cpath%20d%3D%22m240.5%2075.9l0.5%20-1.2%20l-0.8%20-1%22%2F%3E%3Cpath%20d%3D%22m227.1%2055.4l-0.8%20-1%20l-1.2%200.1%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_3268c24c76%22%3E%3Cpath%20class%3D%22atom-2%22%20d%3D%22M%20100.7%2067.9%20Q%20100.7%2066.2%2C%20101.5%2065.3%20Q%20102.4%2064.3%2C%20104.0%2064.3%20Q%20105.5%2064.3%2C%20106.4%2065.3%20Q%20107.2%2066.2%2C%20107.2%2067.9%20Q%20107.2%2069.7%2C%20106.4%2070.6%20Q%20105.5%2071.6%2C%20104.0%2071.6%20Q%20102.4%2071.6%2C%20101.5%2070.6%20Q%20100.7%2069.7%2C%20100.7%2067.9%20M%20104.0%2070.8%20Q%20105.0%2070.8%2C%20105.6%2070.1%20Q%20106.2%2069.4%2C%20106.2%2067.9%20Q%20106.2%2066.5%2C%20105.6%2065.8%20Q%20105.0%2065.1%2C%20104.0%2065.1%20Q%20102.9%2065.1%2C%20102.3%2065.8%20Q%20101.7%2066.5%2C%20101.7%2067.9%20Q%20101.7%2069.4%2C%20102.3%2070.1%20Q%20102.9%2070.8%2C%20104.0%2070.8%20%22%2F%3E%3Cpath%20class%3D%22atom-4%22%20d%3D%22M%20118.2%20107.6%20Q%20118.2%20105.9%2C%20119.0%20105.0%20Q%20119.9%20104.0%2C%20121.4%20104.0%20Q%20123.0%20104.0%2C%20123.9%20105.0%20Q%20124.7%20105.9%2C%20124.7%20107.6%20Q%20124.7%20109.4%2C%20123.9%20110.3%20Q%20123.0%20111.3%2C%20121.4%20111.3%20Q%20119.9%20111.3%2C%20119.0%20110.3%20Q%20118.2%20109.4%2C%20118.2%20107.6%20M%20121.4%20110.5%20Q%20122.5%20110.5%2C%20123.1%20109.8%20Q%20123.7%20109.1%2C%20123.7%20107.6%20Q%20123.7%20106.2%2C%20123.1%20105.5%20Q%20122.5%20104.8%2C%20121.4%20104.8%20Q%20120.4%20104.8%2C%20119.8%20105.5%20Q%20119.2%20106.2%2C%20119.2%20107.6%20Q%20119.2%20109.1%2C%20119.8%20109.8%20Q%20120.4%20110.5%2C%20121.4%20110.5%20%22%2F%3E%3Cpath%20class%3D%22atom-6%22%20d%3D%22M%20165.7%2083.9%20L%20168.0%2087.6%20Q%20168.3%2088.0%2C%20168.6%2088.7%20Q%20169.0%2089.3%2C%20169.0%2089.4%20L%20169.0%2083.9%20L%20170.0%2083.9%20L%20170.0%2091.0%20L%20169.0%2091.0%20L%20166.5%2086.9%20Q%20166.2%2086.4%2C%20165.9%2085.8%20Q%20165.6%2085.3%2C%20165.5%2085.1%20L%20165.5%2091.0%20L%20164.6%2091.0%20L%20164.6%2083.9%20L%20165.7%2083.9%20%22%2F%3E%3Cpath%20class%3D%22atom-8%22%20d%3D%22M%20143.6%20127.1%20Q%20143.6%20125.4%2C%20144.5%20124.5%20Q%20145.3%20123.5%2C%20146.9%20123.5%20Q%20148.4%20123.5%2C%20149.3%20124.5%20Q%20150.1%20125.4%2C%20150.1%20127.1%20Q%20150.1%20128.8%2C%20149.3%20129.8%20Q%20148.4%20130.8%2C%20146.9%20130.8%20Q%20145.3%20130.8%2C%20144.5%20129.8%20Q%20143.6%20128.9%2C%20143.6%20127.1%20M%20146.9%20130.0%20Q%20148.0%20130.0%2C%20148.5%20129.3%20Q%20149.1%20128.5%2C%20149.1%20127.1%20Q%20149.1%20125.7%2C%20148.5%20125.0%20Q%20148.0%20124.3%2C%20146.9%20124.3%20Q%20145.8%20124.3%2C%20145.2%20125.0%20Q%20144.6%20125.7%2C%20144.6%20127.1%20Q%20144.6%20128.6%2C%20145.2%20129.3%20Q%20145.8%20130.0%2C%20146.9%20130.0%20%22%2F%3E%3Cpath%20class%3D%22atom-9%22%20d%3D%22M%20189.0%20122.7%20Q%20189.1%20122.8%2C%20189.4%20122.9%20Q%20189.7%20123.0%2C%20190.1%20123.1%20Q%20190.5%20123.2%2C%20190.8%20123.2%20Q%20191.5%20123.2%2C%20191.9%20122.9%20Q%20192.3%20122.6%2C%20192.3%20122.0%20Q%20192.3%20121.6%2C%20192.1%20121.3%20Q%20191.9%20121.1%2C%20191.6%20121.0%20Q%20191.3%20120.8%2C%20190.8%20120.7%20Q%20190.1%20120.5%2C%20189.8%20120.3%20Q%20189.4%20120.1%2C%20189.1%20119.8%20Q%20188.9%20119.4%2C%20188.9%20118.7%20Q%20188.9%20117.9%2C%20189.5%20117.3%20Q%20190.1%20116.8%2C%20191.3%20116.8%20Q%20192.1%20116.8%2C%20193.0%20117.1%20L%20192.8%20117.9%20Q%20191.9%20117.6%2C%20191.3%20117.6%20Q%20190.6%20117.6%2C%20190.2%20117.9%20Q%20189.9%20118.1%2C%20189.9%20118.6%20Q%20189.9%20119.0%2C%20190.1%20119.2%20Q%20190.3%20119.5%2C%20190.5%20119.6%20Q%20190.8%20119.7%2C%20191.3%20119.9%20Q%20191.9%20120.1%2C%20192.3%20120.3%20Q%20192.7%20120.5%2C%20193.0%20120.9%20Q%20193.3%20121.3%2C%20193.3%20122.0%20Q%20193.3%20123.0%2C%20192.6%20123.5%20Q%20191.9%20124.0%2C%20190.9%20124.0%20Q%20190.2%20124.0%2C%20189.7%20123.9%20Q%20189.3%20123.7%2C%20188.7%20123.5%20L%20189.0%20122.7%20%22%2F%3E%3Cpath%20class%3D%22atom-15%22%20d%3D%22M%20180.1%2036.8%20Q%20180.1%2035.1%2C%20180.9%2034.2%20Q%20181.8%2033.2%2C%20183.3%2033.2%20Q%20184.8%2033.2%2C%20185.6%2034.3%20L%20184.9%2034.8%20Q%20184.4%2034.1%2C%20183.3%2034.1%20Q%20182.3%2034.1%2C%20181.7%2034.8%20Q%20181.1%2035.5%2C%20181.1%2036.8%20Q%20181.1%2038.3%2C%20181.7%2039.0%20Q%20182.3%2039.7%2C%20183.4%2039.7%20Q%20184.2%2039.7%2C%20185.1%2039.2%20L%20185.4%2040.0%20Q%20185.1%2040.2%2C%20184.5%2040.4%20Q%20183.9%2040.5%2C%20183.3%2040.5%20Q%20181.8%2040.5%2C%20180.9%2039.6%20Q%20180.1%2038.6%2C%20180.1%2036.8%20%22%2F%3E%3Cpath%20class%3D%22atom-15%22%20d%3D%22M%20186.3%2032.8%20L%20187.2%2032.8%20L%20187.2%2040.4%20L%20186.3%2040.4%20L%20186.3%2032.8%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_3268c24c76%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B60.8%2C%2063.2%5D%2C%20%5B81.0%2C%2078.0%5D%2C%20%5B104.0%2C%2067.9%5D%2C%20%5B124.2%2C%2082.7%5D%2C%20%5B121.4%2C%20107.6%5D%2C%20%5B147.1%2C%2072.6%5D%2C%20%5B167.3%2C%2087.4%5D%2C%20%5B167.2%2C%20112.5%5D%2C%20%5B146.9%2C%20127.1%5D%2C%20%5B191.0%2C%20120.3%5D%2C%20%5B205.8%2C%20100.1%5D%2C%20%5B230.7%2C%2097.6%5D%2C%20%5B241.0%2C%2074.7%5D%2C%20%5B226.3%2C%2054.4%5D%2C%20%5B201.4%2C%2056.9%5D%2C%20%5B186.8%2C%2036.6%5D%2C%20%5B191.1%2C%2079.8%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)