Substrate
/
Generation 1
XenoSite
Alpha-ochratoxin
CC1Cc2c(Cl)cc(C(=O)O)c(O)c2C(=O)O1
CHEBI
Copy JSON
Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC1CC2=C(C(=O)O1)C1(O)OC1(C(=O)O)C=C2Cl
Copy JSON
epoxidation · 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%22134.2%22%20cy%3D%22139.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2270.1%22%20cy%3D%2280.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22159.5%22%20cy%3D%22111.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22168.7%22%20cy%3D%2268.9%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22184.7%22%20cy%3D%2283.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22148.1%22%20cy%3D%2275.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22143.4%22%20cy%3D%2296.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2286.1%22%20cy%3D%2295.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22102.2%22%20cy%3D%22109.8%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22127.4%22%20cy%3D%2282.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22106.8%22%20cy%3D%2288.6%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22200.8%22%20cy%3D%2298.1%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22180.1%22%20cy%3D%22104.7%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22152.7%22%20cy%3D%2254.3%22%20style%3D%22fill%3Argb(254%2C254%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22138.8%22%20cy%3D%22117.8%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22118.2%22%20cy%3D%22124.4%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2265.5%22%20cy%3D%22101.8%22%20style%3D%22fill%3Argb(253%2C253%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_6f3c9f33f4%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_6f3c9f33f4%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_6f3c9f33f4%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_6f3c9f33f4%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m213%20100.7l-24.5%20-5.3%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m188.5%2095.4l-16.8%2018.5%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m171.7%20113.9l-24.4%20-5.3%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m147.3%20108.6l-16.9%2018.5%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m143%20107.6l-13.9%2015.3%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m130.4%20127.1l6.3%2019.6%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-4%20atom-6%22%20d%3D%22m130.4%20127.1l-24.4%20-5.4%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m106%20121.7l-7.6%20-23.8%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m108.9%20118.5l-6.3%20-19.7%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m98.4%2097.9l-24.5%20-5.3%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m73.3%2090.5l-13.6%2014.9%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m76%2093l-13.5%2014.9%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-8%20atom-10%22%20d%3D%22m73.9%2092.6l-6.2%20-19.4%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-7%20atom-11%22%20d%3D%22m98.4%2097.9l16.8%20-18.5%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m115.2%2079.4l-6.2%20-19.3%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-11%20atom-13%22%20d%3D%22m115.2%2079.4l24.4%205.3%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-11%20atom-13%22%20d%3D%22m116.5%2083.5l20.2%204.4%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m139.6%2084.7l16.9%20-18.5%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m158.6%2066.7l-6.5%20-20.4%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m155%2067.8l-6.5%20-20.3%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-14%20atom-16%22%20d%3D%22m156.5%2066.2l20.4%204.5%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-16%20atom-1%22%20d%3D%22m182.4%2076.1l6.1%2019.3%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-13%20atom-3%22%20d%3D%22m139.6%2084.7l7.7%2023.9%22%2F%3E%3Cpath%20d%3D%22m172.5%20113l-0.8%200.9%20l-1.2%20-0.3%22%2F%3E%3Cpath%20d%3D%22m107.2%20122l-1.2%20-0.3%20l-0.4%20-1.2%22%2F%3E%3Cpath%20d%3D%22m75.1%2092.8l-1.2%20-0.2%20l-0.3%20-1%22%2F%3E%3Cpath%20d%3D%22m155.7%2067.1l0.8%20-0.9%20l1%200.2%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_6f3c9f33f4%22%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%20135.3%20151.2%20Q%20135.3%20149.4%2C%20136.1%20148.5%20Q%20136.9%20147.5%2C%20138.5%20147.5%20Q%20140.0%20147.5%2C%20140.7%20148.6%20L%20140.1%20149.1%20Q%20139.5%20148.4%2C%20138.5%20148.4%20Q%20137.4%20148.4%2C%20136.9%20149.1%20Q%20136.3%20149.8%2C%20136.3%20151.2%20Q%20136.3%20152.6%2C%20136.9%20153.3%20Q%20137.5%20154.0%2C%20138.6%20154.0%20Q%20139.4%20154.0%2C%20140.3%20153.5%20L%20140.6%20154.3%20Q%20140.2%20154.5%2C%20139.6%20154.7%20Q%20139.1%20154.8%2C%20138.5%20154.8%20Q%20136.9%20154.8%2C%20136.1%20153.9%20Q%20135.3%20152.9%2C%20135.3%20151.2%20%22%2F%3E%3Cpath%20class%3D%22atom-5%22%20d%3D%22M%20141.5%20147.1%20L%20142.4%20147.1%20L%20142.4%20154.7%20L%20141.5%20154.7%20L%20141.5%20147.1%20%22%2F%3E%3Cpath%20class%3D%22atom-9%22%20d%3D%22M%2053.8%20111.1%20Q%2053.8%20109.4%2C%2054.6%20108.4%20Q%2055.5%20107.5%2C%2057.1%20107.5%20Q%2058.6%20107.5%2C%2059.5%20108.4%20Q%2060.3%20109.4%2C%2060.3%20111.1%20Q%2060.3%20112.8%2C%2059.5%20113.8%20Q%2058.6%20114.7%2C%2057.1%20114.7%20Q%2055.5%20114.7%2C%2054.6%20113.8%20Q%2053.8%20112.8%2C%2053.8%20111.1%20M%2057.1%20113.9%20Q%2058.1%20113.9%2C%2058.7%20113.2%20Q%2059.3%20112.5%2C%2059.3%20111.1%20Q%2059.3%20109.7%2C%2058.7%20109.0%20Q%2058.1%20108.3%2C%2057.1%20108.3%20Q%2056.0%20108.3%2C%2055.4%20109.0%20Q%2054.8%20109.7%2C%2054.8%20111.1%20Q%2054.8%20112.5%2C%2055.4%20113.2%20Q%2056.0%20113.9%2C%2057.1%20113.9%20%22%2F%3E%3Cpath%20class%3D%22atom-10%22%20d%3D%22M%2063.1%2068.7%20Q%2063.1%2067.0%2C%2063.9%2066.1%20Q%2064.7%2065.1%2C%2066.3%2065.1%20Q%2067.9%2065.1%2C%2068.7%2066.1%20Q%2069.6%2067.0%2C%2069.6%2068.7%20Q%2069.6%2070.5%2C%2068.7%2071.4%20Q%2067.9%2072.4%2C%2066.3%2072.4%20Q%2064.7%2072.4%2C%2063.9%2071.4%20Q%2063.1%2070.5%2C%2063.1%2068.7%20M%2066.3%2071.6%20Q%2067.4%2071.6%2C%2068.0%2070.9%20Q%2068.6%2070.2%2C%2068.6%2068.7%20Q%2068.6%2067.3%2C%2068.0%2066.6%20Q%2067.4%2065.9%2C%2066.3%2065.9%20Q%2065.2%2065.9%2C%2064.6%2066.6%20Q%2064.1%2067.3%2C%2064.1%2068.7%20Q%2064.1%2070.2%2C%2064.6%2070.9%20Q%2065.2%2071.6%2C%2066.3%2071.6%20%22%2F%3E%3Cpath%20class%3D%22atom-10%22%20d%3D%22M%2070.7%2065.2%20L%2071.6%2065.2%20L%2071.6%2068.2%20L%2075.2%2068.2%20L%2075.2%2065.2%20L%2076.2%2065.2%20L%2076.2%2072.3%20L%2075.2%2072.3%20L%2075.2%2069.0%20L%2071.6%2069.0%20L%2071.6%2072.3%20L%2070.7%2072.3%20L%2070.7%2065.2%20%22%2F%3E%3Cpath%20class%3D%22atom-12%22%20d%3D%22M%20104.3%2055.6%20Q%20104.3%2053.9%2C%20105.2%2052.9%20Q%20106.0%2052.0%2C%20107.6%2052.0%20Q%20109.2%2052.0%2C%20110.0%2052.9%20Q%20110.9%2053.9%2C%20110.9%2055.6%20Q%20110.9%2057.3%2C%20110.0%2058.3%20Q%20109.2%2059.2%2C%20107.6%2059.2%20Q%20106.0%2059.2%2C%20105.2%2058.3%20Q%20104.3%2057.3%2C%20104.3%2055.6%20M%20107.6%2058.4%20Q%20108.7%2058.4%2C%20109.3%2057.7%20Q%20109.9%2057.0%2C%20109.9%2055.6%20Q%20109.9%2054.2%2C%20109.3%2053.5%20Q%20108.7%2052.8%2C%20107.6%2052.8%20Q%20106.5%2052.8%2C%20105.9%2053.5%20Q%20105.4%2054.2%2C%20105.4%2055.6%20Q%20105.4%2057.0%2C%20105.9%2057.7%20Q%20106.5%2058.4%2C%20107.6%2058.4%20%22%2F%3E%3Cpath%20class%3D%22atom-12%22%20d%3D%22M%20112.0%2052.0%20L%20112.9%2052.0%20L%20112.9%2055.1%20L%20116.5%2055.1%20L%20116.5%2052.0%20L%20117.5%2052.0%20L%20117.5%2059.1%20L%20116.5%2059.1%20L%20116.5%2055.9%20L%20112.9%2055.9%20L%20112.9%2059.1%20L%20112.0%2059.1%20L%20112.0%2052.0%20%22%2F%3E%3Cpath%20class%3D%22atom-15%22%20d%3D%22M%20145.6%2042.4%20Q%20145.6%2040.7%2C%20146.5%2039.8%20Q%20147.3%2038.8%2C%20148.9%2038.8%20Q%20150.5%2038.8%2C%20151.3%2039.8%20Q%20152.1%2040.7%2C%20152.1%2042.4%20Q%20152.1%2044.1%2C%20151.3%2045.1%20Q%20150.4%2046.1%2C%20148.9%2046.1%20Q%20147.3%2046.1%2C%20146.5%2045.1%20Q%20145.6%2044.1%2C%20145.6%2042.4%20M%20148.9%2045.3%20Q%20150.0%2045.3%2C%20150.6%2044.6%20Q%20151.1%2043.8%2C%20151.1%2042.4%20Q%20151.1%2041.0%2C%20150.6%2040.3%20Q%20150.0%2039.6%2C%20148.9%2039.6%20Q%20147.8%2039.6%2C%20147.2%2040.3%20Q%20146.6%2041.0%2C%20146.6%2042.4%20Q%20146.6%2043.8%2C%20147.2%2044.6%20Q%20147.8%2045.3%2C%20148.9%2045.3%20%22%2F%3E%3Cpath%20class%3D%22atom-16%22%20d%3D%22M%20177.7%2071.6%20Q%20177.7%2069.9%2C%20178.5%2068.9%20Q%20179.4%2068.0%2C%20180.9%2068.0%20Q%20182.5%2068.0%2C%20183.4%2068.9%20Q%20184.2%2069.9%2C%20184.2%2071.6%20Q%20184.2%2073.3%2C%20183.3%2074.3%20Q%20182.5%2075.3%2C%20180.9%2075.3%20Q%20179.4%2075.3%2C%20178.5%2074.3%20Q%20177.7%2073.3%2C%20177.7%2071.6%20M%20180.9%2074.5%20Q%20182.0%2074.5%2C%20182.6%2073.7%20Q%20183.2%2073.0%2C%20183.2%2071.6%20Q%20183.2%2070.2%2C%20182.6%2069.5%20Q%20182.0%2068.8%2C%20180.9%2068.8%20Q%20179.9%2068.8%2C%20179.3%2069.5%20Q%20178.7%2070.2%2C%20178.7%2071.6%20Q%20178.7%2073.0%2C%20179.3%2073.7%20Q%20179.9%2074.5%2C%20180.9%2074.5%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_6f3c9f33f4%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B213.0%2C%20100.7%5D%2C%20%5B188.5%2C%2095.4%5D%2C%20%5B171.7%2C%20113.9%5D%2C%20%5B147.3%2C%20108.6%5D%2C%20%5B130.4%2C%20127.1%5D%2C%20%5B138.0%2C%20150.9%5D%2C%20%5B106.0%2C%20121.7%5D%2C%20%5B98.4%2C%2097.9%5D%2C%20%5B73.9%2C%2092.6%5D%2C%20%5B57.1%2C%20111.1%5D%2C%20%5B66.3%2C%2068.7%5D%2C%20%5B115.2%2C%2079.4%5D%2C%20%5B107.6%2C%2055.5%5D%2C%20%5B139.6%2C%2084.7%5D%2C%20%5B156.5%2C%2066.2%5D%2C%20%5B148.9%2C%2042.4%5D%2C%20%5B180.9%2C%2071.6%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)
