Substrate
/
Generation 1
XenoSite
Alternariol
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
CHEBI
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Description
▾
Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
Generation 1
Show metabolites
CC1=CC(=O)C(=O)c2oc(=O)c3c(O)cc(O)cc3c21
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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.
epoxidation
Probability 0.08
0.08
epoxidation
Probability 0.03
0.03
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.01
0.01
epoxidation
Probability 0.00
0.00
Showing 5 of 8 metabolites
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%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2268.5%22%20cy%3D%2298.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22147.4%22%20cy%3D%2261.7%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22186.8%22%20cy%3D%2243.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22222.3%22%20cy%3D%2268.5%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22214.3%22%20cy%3D%22155.0%22%20style%3D%22fill%3Argb(255%2C255%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22128.9%22%20cy%3D%22125.4%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22168.4%22%20cy%3D%22107.2%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22143.4%22%20cy%3D%22104.9%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22182.8%22%20cy%3D%2286.7%22%20style%3D%22fill%3Argb(253%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22132.9%22%20cy%3D%2282.1%22%20style%3D%22fill%3Argb(252%2C253%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22218.3%22%20cy%3D%22111.8%22%20style%3D%22fill%3Argb(249%2C251%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22107.9%22%20cy%3D%2279.8%22%20style%3D%22fill%3Argb(246%2C249%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22103.9%22%20cy%3D%22123.1%22%20style%3D%22fill%3Argb(237%2C244%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22172.3%22%20cy%3D%2263.9%22%20style%3D%22fill%3Argb(233%2C241%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22207.8%22%20cy%3D%2289.0%22%20style%3D%22fill%3Argb(227%2C237%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%2293.4%22%20cy%3D%22100.3%22%20style%3D%22fill%3Argb(190%2C214%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22178.9%22%20cy%3D%22130.0%22%20style%3D%22fill%3Argb(131%2C175%2C255)%22%2F%3E%3Ccircle%20r%3D%229.0%22%20cx%3D%22203.8%22%20cy%3D%22132.3%22%20style%3D%22fill%3Argb(120%2C167%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_b8327e00c4%22%2F%3E%3Cuse%20href%3D%22%23lines_xeno_b8327e00c4%22%20style%3D%22stroke-width%3A4.0%22%2F%3E%3Cuse%20href%3D%22%23text_xeno_b8327e00c4%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_b8327e00c4%22%3E%3Cpath%20class%3D%22bond-0%20atom-0%20atom-1%22%20d%3D%22m139.4%20148.2l-10.5%20-22.8%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m128.9%20125.4l-25%20-2.3%22%2F%3E%3Cpath%20class%3D%22bond-1%20atom-1%20atom-2%22%20d%3D%22m127.1%20121.4l-20.6%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-2%20atom-2%20atom-3%22%20d%3D%22m103.9%20123.1l-10.5%20-22.8%22%2F%3E%3Cpath%20class%3D%22bond-3%20atom-3%20atom-4%22%20d%3D%22m93.4%20100.3l-20.8%20-1.9%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-3%20atom-5%22%20d%3D%22m93.4%20100.3l14.5%20-20.5%22%2F%3E%3Cpath%20class%3D%22bond-4%20atom-3%20atom-5%22%20d%3D%22m97.8%20100.7l11.9%20-16.9%22%2F%3E%3Cpath%20class%3D%22bond-5%20atom-5%20atom-6%22%20d%3D%22m107.9%2079.8l25%202.3%22%2F%3E%3Cpath%20class%3D%22bond-6%20atom-6%20atom-7%22%20d%3D%22m132.9%2082.1l11.3%20-15.9%22%2F%3E%3Cpath%20class%3D%22bond-7%20atom-7%20atom-8%22%20d%3D%22m151.4%2062l20.9%201.9%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m173.2%2065.9l11.9%20-16.8%22%2F%3E%3Cpath%20class%3D%22bond-8%20atom-8%20atom-9%22%20d%3D%22m170.2%2063.7l11.9%20-16.8%22%2F%3E%3Cpath%20class%3D%22bond-9%20atom-8%20atom-10%22%20d%3D%22m172.3%2063.9l10.5%2022.8%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m182.8%2086.7l25%202.3%22%2F%3E%3Cpath%20class%3D%22bond-10%20atom-10%20atom-11%22%20d%3D%22m184.7%2090.7l20.6%201.9%22%2F%3E%3Cpath%20class%3D%22bond-11%20atom-11%20atom-12%22%20d%3D%22m207.8%2089l11.3%20-15.9%22%2F%3E%3Cpath%20class%3D%22bond-12%20atom-11%20atom-13%22%20d%3D%22m207.8%2089l10.5%2022.8%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m218.3%20111.8l-14.5%2020.5%22%2F%3E%3Cpath%20class%3D%22bond-13%20atom-13%20atom-14%22%20d%3D%22m214%20111.4l-12%2016.9%22%2F%3E%3Cpath%20class%3D%22bond-14%20atom-14%20atom-15%22%20d%3D%22m203.8%20132.3l8.5%2018.3%22%2F%3E%3Cpath%20class%3D%22bond-15%20atom-14%20atom-16%22%20d%3D%22m203.8%20132.3l-24.9%20-2.3%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-16%20atom-17%22%20d%3D%22m178.9%20130l-10.5%20-22.8%22%2F%3E%3Cpath%20class%3D%22bond-16%20atom-16%20atom-17%22%20d%3D%22m181.4%20126.4l-8.7%20-18.8%22%2F%3E%3Cpath%20class%3D%22bond-17%20atom-17%20atom-18%22%20d%3D%22m168.4%20107.2l-25%20-2.3%22%2F%3E%3Cpath%20class%3D%22bond-18%20atom-18%20atom-1%22%20d%3D%22m143.4%20104.9l-14.5%2020.5%22%2F%3E%3Cpath%20class%3D%22bond-19%20atom-18%20atom-6%22%20d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