XenoSite
Afg
CC1OC(OCCCCN)C(O)C(O)C1O
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.
dealkylation
Probability 0.43
0.43
dealkylation
Probability 0.43
0.43
4-(6-deoxy-α-<small>l</small>-mannopyranosyloxy)butanal
dealkylation
Probability 0.43
0.43
dealkylation
Probability 0.43
0.43
((sup 13)n)ammonia
%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22246.3%22%20cy%3D%22125.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22262.2%22%20cy%3D%2284.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22162.5%22%20cy%3D%2280.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22227.1%22%20cy%3D%2270.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22248.6%22%20cy%3D%2267.4%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22184.0%22%20cy%3D%2277.2%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22219.1%22%20cy%3D%2291.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22119.5%22%20cy%3D%2287.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22141.0%22%20cy%3D%2283.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22232.7%22%20cy%3D%22108.0%22%20style%3D%22fill%3Argb(248%2C250%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22235.0%22%20cy%3D%2250.4%22%20style%3D%22fill%3Argb(244%2C248%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22275.8%22%20cy%3D%22101.5%22%20style%3D%22fill%3Argb(237%2C244%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22270.1%22%20cy%3D%2264.2%22%20style%3D%22fill%3Argb(236%2C243%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22205.6%22%20cy%3D%2273.9%22%20style%3D%22fill%3Argb(234%2C242%2C255)%22%2F%3E%3Ccircle%20r%3D%2211.8%22%20cx%3D%2298.0%22%20cy%3D%2290.2%22%20style%3D%22fill%3Argb(29%2C93%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2298.0%22%20cy%3D%2290.2%22%20style%3D%22fill%3Argb(0%2C175%2C119)%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_8805b9bb72%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_8805b9bb72%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_8805b9bb72%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_8805b9bb72%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m248.2%20137.4l-3.8%20-24.9%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m244.4%20112.5l-19.3%20-7.5%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m220.3%2098.9l-3%20-20.4%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m217.3%2078.5l-19.3%20-7.5%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-4%20atom-5%22%20d%3D%22m189.8%2072.6l-15.6%2012.4%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m174.2%2085l-23.4%20-9.1%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m150.8%2075.9l-19.6%2015.6%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m131.2%2091.5l-23.4%20-9.1%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m107.8%2082.4l-16.1%2012.8%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-3%20atom-10%22%20d%3D%22m217.3%2078.5l19.6%20-15.7%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m236.9%2062.8l-3.1%20-20.3%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-10%20atom-12%22%20d%3D%22m236.9%2062.8l23.4%209.2%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-12%20atom-13%22%20d%3D%22m260.3%2072l15.5%20-12.4%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-12%20atom-14%22%20d%3D%22m260.3%2072l3.8%2024.9%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m264.1%2096.9l19.3%207.5%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-14%20atom-1%22%20d%3D%22m264.1%2096.9l-19.7%2015.6%22%2F%3E%3Cpath%20d%3D%22m175%2084.4l-0.8%200.6%20l-1.2%20-0.4%22%2F%3E%3Cpath%20d%3D%22m152%2076.3l-1.2%20-0.4%20l-1%200.7%22%2F%3E%3Cpath%20d%3D%22m132.2%2090.8l-1%200.7%20l-1.2%20-0.4%22%2F%3E%3Cpath%20d%3D%22m108.9%2082.8l-1.1%20-0.4%20l-0.8%200.6%22%2F%3E%3C%2Fg%3E%3C%2Fg%3E%3Cg%20class%3D%22text%22%3E%3Cg%20id%3D%22text_xeno_8805b9bb72%22%3E%3Cpath%20class%3D%22atom-2%22%20d%3D%22M%20217.7%20103.4%20Q%20217.7%20101.7%2C%20218.6%20100.7%20Q%20219.4%2099.8%2C%20221.0%2099.8%20Q%20222.6%2099.8%2C%20223.4%20100.7%20Q%20224.3%20101.7%2C%20224.3%20103.4%20Q%20224.3%20105.1%2C%20223.4%20106.1%20Q%20222.6%20107.1%2C%20221.0%20107.1%20Q%20219.4%20107.1%2C%20218.6%20106.1%20Q%20217.7%20105.1%2C%20217.7%20103.4%20M%20221.0%20106.3%20Q%20222.1%20106.3%2C%20222.7%20105.6%20Q%20223.3%20104.8%2C%20223.3%20103.4%20Q%20223.3%20102.0%2C%20222.7%20101.3%20Q%20222.1%20100.6%2C%20221.0%20100.6%20Q%20219.9%20100.6%2C%20219.3%20101.3%20Q%20218.8%20102.0%2C%20218.8%20103.4%20Q%20218.8%20104.8%2C%20219.3%20105.6%20Q%20219.9%20106.3%2C%20221.0%20106.3%20%22%2F%3E%3Cpath%20class%3D%22atom-4%22%20d%3D%22M%20190.6%2069.4%20Q%20190.6%2067.7%2C%20191.4%2066.7%20Q%20192.3%2065.8%2C%20193.9%2065.8%20Q%20195.4%2065.8%2C%20196.3%2066.7%20Q%20197.1%2067.7%2C%20197.1%2069.4%20Q%20197.1%2071.1%2C%20196.3%2072.1%20Q%20195.4%2073.1%2C%20193.9%2073.1%20Q%20192.3%2073.1%2C%20191.4%2072.1%20Q%20190.6%2071.1%2C%20190.6%2069.4%20M%20193.9%2072.3%20Q%20194.9%2072.3%2C%20195.5%2071.5%20Q%20196.1%2070.8%2C%20196.1%2069.4%20Q%20196.1%2068.0%2C%20195.5%2067.3%20Q%20194.9%2066.6%2C%20193.9%2066.6%20Q%20192.8%2066.6%2C%20192.2%2067.3%20Q%20191.6%2068.0%2C%20191.6%2069.4%20Q%20191.6%2070.8%2C%20192.2%2071.5%20Q%20192.8%2072.3%2C%20193.9%2072.3%20%22%2F%3E%3Cpath%20class%3D%22atom-9%22%20d%3D%22M%2074.4%2094.5%20L%2075.4%2094.5%20L%2075.4%2097.5%20L%2079.0%2097.5%20L%2079.0%2094.5%20L%2080.0%2094.5%20L%2080.0%20101.6%20L%2079.0%20101.6%20L%2079.0%2098.3%20L%2075.4%2098.3%20L%2075.4%20101.6%20L%2074.4%20101.6%20L%2074.4%2094.5%20%22%2F%3E%3Cpath%20class%3D%22atom-9%22%20d%3D%22M%2081.4%20101.4%20Q%2081.5%20100.9%2C%2081.9%20100.7%20Q%2082.4%20100.4%2C%2082.9%20100.4%20Q%2083.6%20100.4%2C%2084.0%20100.8%20Q%2084.4%20101.2%2C%2084.4%20101.9%20Q%2084.4%20102.6%2C%2083.9%20103.2%20Q%2083.4%20103.9%2C%2082.3%20104.6%20L%2084.5%20104.6%20L%2084.5%20105.2%20L%2081.3%20105.2%20L%2081.3%20104.7%20Q%2082.2%20104.1%2C%2082.7%20103.6%20Q%2083.3%20103.2%2C%2083.5%20102.7%20Q%2083.8%20102.3%2C%2083.8%20101.9%20Q%2083.8%20101.4%2C%2083.5%20101.2%20Q%2083.3%20100.9%2C%2082.9%20100.9%20Q%2082.6%20100.9%2C%2082.3%20101.1%20Q%2082.0%20101.2%2C%2081.9%20101.6%20L%2081.4%20101.4%20%22%2F%3E%3Cpath%20class%3D%22atom-9%22%20d%3D%22M%2086.6%2094.5%20L%2088.9%2098.3%20Q%2089.1%2098.6%2C%2089.5%2099.3%20Q%2089.9%20100.0%2C%2089.9%20100.0%20L%2089.9%2094.5%20L%2090.8%2094.5%20L%2090.8%20101.6%20L%2089.9%20101.6%20L%2087.4%2097.5%20Q%2087.1%2097.0%2C%2086.8%2096.4%20Q%2086.5%2095.9%2C%2086.4%2095.7%20L%2086.4%20101.6%20L%2085.4%20101.6%20L%2085.4%2094.5%20L%2086.6%2094.5%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20229.9%2038.0%20Q%20229.9%2036.3%2C%20230.7%2035.4%20Q%20231.6%2034.4%2C%20233.1%2034.4%20Q%20234.7%2034.4%2C%20235.6%2035.4%20Q%20236.4%2036.3%2C%20236.4%2038.0%20Q%20236.4%2039.7%2C%20235.6%2040.7%20Q%20234.7%2041.7%2C%20233.1%2041.7%20Q%20231.6%2041.7%2C%20230.7%2040.7%20Q%20229.9%2039.8%2C%20229.9%2038.0%20M%20233.1%2040.9%20Q%20234.2%2040.9%2C%20234.8%2040.2%20Q%20235.4%2039.4%2C%20235.4%2038.0%20Q%20235.4%2036.6%2C%20234.8%2035.9%20Q%20234.2%2035.2%2C%20233.1%2035.2%20Q%20232.1%2035.2%2C%20231.5%2035.9%20Q%20230.9%2036.6%2C%20230.9%2038.0%20Q%20230.9%2039.5%2C%20231.5%2040.2%20Q%20232.1%2040.9%2C%20233.1%2040.9%20%22%2F%3E%3Cpath%20class%3D%22atom-11%22%20d%3D%22M%20237.5%2034.5%20L%20238.5%2034.5%20L%20238.5%2037.5%20L%20242.1%2037.5%20L%20242.1%2034.5%20L%20243.1%2034.5%20L%20243.1%2041.6%20L%20242.1%2041.6%20L%20242.1%2038.3%20L%20238.5%2038.3%20L%20238.5%2041.6%20L%20237.5%2041.6%20L%20237.5%2034.5%20%22%2F%3E%3Cpath%20class%3D%22atom-13%22%20d%3D%22M%20276.7%2056.4%20Q%20276.7%2054.7%2C%20277.5%2053.7%20Q%20278.4%2052.7%2C%20279.9%2052.7%20Q%20281.5%2052.7%2C%20282.4%2053.7%20Q%20283.2%2054.7%2C%20283.2%2056.4%20Q%20283.2%2058.1%2C%20282.4%2059.1%20Q%20281.5%2060.1%2C%20279.9%2060.1%20Q%20278.4%2060.1%2C%20277.5%2059.1%20Q%20276.7%2058.1%2C%20276.7%2056.4%20M%20279.9%2059.3%20Q%20281.0%2059.3%2C%20281.6%2058.5%20Q%20282.2%2057.8%2C%20282.2%2056.4%20Q%20282.2%2055.0%2C%20281.6%2054.3%20Q%20281.0%2053.6%2C%20279.9%2053.6%20Q%20278.9%2053.6%2C%20278.3%2054.3%20Q%20277.7%2055.0%2C%20277.7%2056.4%20Q%20277.7%2057.8%2C%20278.3%2058.5%20Q%20278.9%2059.3%2C%20279.9%2059.3%20%22%2F%3E%3Cpath%20class%3D%22atom-13%22%20d%3D%22M%20284.3%2052.8%20L%20285.3%2052.8%20L%20285.3%2055.9%20L%20288.9%2055.9%20L%20288.9%2052.8%20L%20289.9%2052.8%20L%20289.9%2059.9%20L%20288.9%2059.9%20L%20288.9%2056.7%20L%20285.3%2056.7%20L%20285.3%2059.9%20L%20284.3%2059.9%20L%20284.3%2052.8%20%22%2F%3E%3Cpath%20class%3D%22atom-15%22%20d%3D%22M%20284.2%20106.1%20Q%20284.2%20104.4%2C%20285.0%20103.4%20Q%20285.9%20102.4%2C%20287.5%20102.4%20Q%20289.0%20102.4%2C%20289.9%20103.4%20Q%20290.7%20104.4%2C%20290.7%20106.1%20Q%20290.7%20107.8%2C%20289.9%20108.8%20Q%20289.0%20109.8%2C%20287.5%20109.8%20Q%20285.9%20109.8%2C%20285.0%20108.8%20Q%20284.2%20107.8%2C%20284.2%20106.1%20M%20287.5%20108.9%20Q%20288.5%20108.9%2C%20289.1%20108.2%20Q%20289.7%20107.5%2C%20289.7%20106.1%20Q%20289.7%20104.7%2C%20289.1%20104.0%20Q%20288.5%20103.2%2C%20287.5%20103.2%20Q%20286.4%20103.2%2C%20285.8%20104.0%20Q%20285.2%20104.7%2C%20285.2%20106.1%20Q%20285.2%20107.5%2C%20285.8%20108.2%20Q%20286.4%20108.9%2C%20287.5%20108.9%20%22%2F%3E%3Cpath%20class%3D%22atom-15%22%20d%3D%22M%20291.8%20102.5%20L%20292.8%20102.5%20L%20292.8%20105.6%20L%20296.4%20105.6%20L%20296.4%20102.5%20L%20297.4%20102.5%20L%20297.4%20109.6%20L%20296.4%20109.6%20L%20296.4%20106.4%20L%20292.8%20106.4%20L%20292.8%20109.6%20L%20291.8%20109.6%20L%20291.8%20102.5%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_8805b9bb72%22%2F%3E%3C%2Fg%3E%3Cscript%20type%3D%22application%2Fjson%22%3E%7B%26quot%3Bcoords%26quot%3B%3A%20%5B%5B248.2%2C%20137.4%5D%2C%20%5B244.4%2C%20112.5%5D%2C%20%5B221.0%2C%20103.4%5D%2C%20%5B217.3%2C%2078.5%5D%2C%20%5B193.9%2C%2069.4%5D%2C%20%5B174.2%2C%2085.0%5D%2C%20%5B150.8%2C%2075.9%5D%2C%20%5B131.2%2C%2091.5%5D%2C%20%5B107.8%2C%2082.4%5D%2C%20%5B88.1%2C%2098.0%5D%2C%20%5B236.9%2C%2062.8%5D%2C%20%5B233.1%2C%2038.0%5D%2C%20%5B260.3%2C%2072.0%5D%2C%20%5B279.9%2C%2056.3%5D%2C%20%5B264.1%2C%2096.9%5D%2C%20%5B287.5%2C%20106.0%5D%5D%2C%20%26quot%3Bscale%26quot%3B%3A%2020%7D%3C%2Fscript%3E%3C%2Fsvg%3E)
%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}