Mass2Motif: motif_16

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Mass2Motif Annotation

The following are the full annotation and the short annotation (used for network visualisation) assigned to this Mass2Motif.

Annotation: 4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy relared substructure (or isomeric variants)

Short Annotation: 4-(4-Methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy relared substructure (or isomeric variants)

Mass2Motif Details

The following table shows the fragment and loss features that are explained by this Mass2Motifs and their corresponding probabilities. After thresholding to save the model, the total probability left in this motif is 1.0000000000000004. The column MAGMa Substructure Annotation shows substructures and the counts of MAGMa annotations for documents linked above threshold to this motif in this experiment. Hovering over each MAGMa substructure shows a plot of the substructure.

Feature Probability MAGMA Substructure Annotation
fragment_269.0825 0.128
  • COc1ccc(cc1)-c1cc(=O)oc2cc(O)ccc12 (7)
  • Cc1cc(C=Cc2cc(O)c(C)c(O)c2)cc(O)c1O (3)
  • Cc1coc2cc3oc(=O)c(CCC=O)c(C)c3cc12 (3)
  • Cc1oc2cc3oc(=O)c(CC=O)c(C)c3cc2c1C (3)
  • COc1cccc(C=C2Oc3cc(O)ccc3C2=O)c1 (2)
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  • COc1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1 (1)
  • COc1ccc(-c2cc(=O)c3cc(O)ccc3o2)cc1 (1)
  • COc1cccc2Oc3ccc(C)cc3COC(=O)c12 (1)
  • CC1CC2C(C(=O)c3ccccc3C2(C)O)=C(O)C1O (1)
  • COc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O (1)
  • CC1C2C=CC(=O)OC(C2)C1c1ccc2OCOc2c1 (1)
  • C=C(C)CCOc1c2occc2cc2ccc(=O)oc12 (1)
  • COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 (1)
  • COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 (1)
  • COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O (1)
fragment_253.0875 0.067
  • COc1ccc(cc1)-c1cc(=O)oc2ccccc12 (6)
  • Cc1c(O)ccc2c(cc(=O)oc12)-c1ccccc1 (2)
  • CCOc1ccc2c(oc(=O)c3ccccc32)c1C (2)
  • Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1 (1)
  • COc1ccc(-c2cc(=O)c3ccccc3o2)cc1 (1)
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  • Cc1cc(O)cc(C=Cc2cc(O)c(C)c(O)c2)c1 (1)
  • Cc1cc(C=Cc2cc(O)c(C)c(O)c2)ccc1O (1)
  • COc1ccc(cc1)-c1cc2ccccc2oc1=O (1)
  • C=CCC1CC(O)C(c2ccc3OCOc3c2)C1C (1)
  • COc1cc(C)cc(C=Cc2cc(O)cc(O)c2)c1 (1)
  • COc1ccc2c(=O)c(-c3ccccc3)coc2c1 (1)
fragment_224.0825 0.053
  • Oc1ccc2c(ccoc2c1)-c1ccccc1 (2)
  • CCN(C(=O)CCl)c1c(C)cccc1C (1)
  • COc1cccc(c1)Cc1ccc(C=O)cc1 (1)
  • CCc1cccc(C)c1N(C)C(=O)CCl (1)
  • Oc1ccc(cc1)-c1ccoc2ccccc12 (1)
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fragment_281.0825 0.046
  • COc1ccc(cc1)-c1cc(=O)oc2cc(ccc12)OC (4)
  • COc1cccc(C=C2Oc3cc(ccc3C2=O)OC)c1 (1)
  • COc1ccc(cc1C)C1CC(=O)c2c(O)cccc2O1 (1)
  • Cc1c(ccc2c1oc(=O)c1ccccc12)OC(C)C=O (1)
  • COc1ccc(cc1)-c1cc2ccc(cc2oc1=O)OC (1)
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fragment_195.0825 0.032
  • COc1ccc(-cc2ccccc2)cc1 (5)
  • O=C1c2ccccc2Cc2ccccc21 (1)
  • CC=CCCC=CCc1cccc(O)c1 (1)
  • COc1cccc(c1)Cc1ccccc1 (1)
  • OCc1cccc(c1)Cc1ccccc1 (1)
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  • C=Cc1ccc2OC(C)(CC)CCc2c1 (1)
  • C=Cc1cc(O)cc(c1)CC=C(C)CC (1)
fragment_251.0725 0.023
  • COc1ccc(cc1)-c1cc(=O)oc2ccccc12 (4)
  • Cc1cc(C=Cc2cc(O)c(C)c(O)c2)ccc1O (2)
  • C=C(O)C1(O)CC(C(=O)C(C(=N)O)=C1O)N(C)C (1)
  • COc1cccc(C=C2Oc3ccccc3C2=O)c1 (1)
  • OC(C=Cc1ccc(O)cc1)=Cc1ccc(O)cc1 (1)
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  • COc1ccc(cc1)-c1coc2ccccc2c1=O (1)
fragment_270.0875 0.022
  • COc1ccc(-cc2ccc(cc2o)OCC=O)cc1 (2)
  • cccc(c)C=C1Oc2cc(ccc2C1=O)OCC=O (1)
  • ccc(c)-c1cc(=O)oc2cc(ccc12)OC(C)C=O (1)
  • COc1cccc2Oc3ccc(C)cc3COC(=O)c12 (1)
  • CC1C2C=CC(=O)OC(C2)C1c1ccc2OCOc2c1 (1)
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  • CNC(=O)c1cc(ccn1)Oc1ccc(cc1)NC=O (1)
  • C=C(C)CCOc1c2occc2cc2ccc(=O)oc12 (1)
  • COc1ccc2cc(coc2c1)-c1ccc(O)c(O)c1 (1)
fragment_213.0925 0.020
  • ccc1cOC(=Cc2cccc(c2)OC)C1 (2)
  • Cc1oc2cc3occc(C)c3cc2c1C (2)
  • CC=CCCC=CCc1cccc(O)c1O (1)
  • COc1ccc(-cc2ccccc2o)cc1 (1)
  • CN(C)C1CC(O)C(O)=C(C(=N)O)C1=O (1)
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  • ccc1cocc(c1)-c1ccc(cc1)OC (1)
  • ncncn(cn)C1CC(O)C(CO)O1 (1)
  • Oc1cccc(c1)occ-c1ccccc1 (1)
  • ccc(c)-c1coc2cc(ccc2c1)OC (1)
fragment_225.0925 0.017
  • cc(-c1ccc(cc1)OC)c1ccccc1o (3)
  • CCOc1ccc2c(c1)occ1ccccc12 (1)
  • COc1cccc(C=Cc2cccc(O)c2)c1 (1)
  • COc1ccc(-ccc2ccccc2o)cc1 (1)
  • CC1(C)CC(O)CC2Oc3ccccc3CC21 (1)
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fragment_268.0725 0.016
  • COc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O (1)
  • COc1ccc(cc1)-c1cc(=O)oc2cc(O)ccc12 (1)
  • COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O (1)
fragment_227.0725 0.016
  • Cc1c(C)c2cc3c(C)coc3cc2oc1=O (4)
  • COc1ccc(-cc2ccc(O)cc2o)cc1 (2)
  • COc1cccc(c1)Oc1ccc(C)cc1O (1)
  • COC1CCC(C)C1c1ccc2OCOc2c1 (1)
  • C=C(C)CCOc1cccc2ccc(=O)oc12 (1)
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  • ccc(c)-c1coc2cc(ccc2c1=O)OC (1)
loss_46.0425 0.014
  • CCO (1)
  • C.CO (1)
fragment_223.0775 0.013
  • O=c1cc(-c2ccccc2)c2ccccc2o1 (2)
  • Cc1cc(O)cc(C=Cc2cccc(O)c2)c1 (1)
  • COc1cccc(c1)Cc1ccc(C=O)cc1 (1)
  • CN(C)C1CC(O)(CO)C(O)=C(C=N)C1=O (1)
  • O=c1cc(-c2ccccc2)oc2ccccc12 (1)
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  • ccc(c)C1=CC(=Cc2ccccc2)OC1=O (1)
fragment_689.4475 0.013
fragment_990.5425 0.013
  • CCCCCCCCCCCCCC(O)=NC1CC(O)C(O)N=C(O)C2C(O)C(C)CN2C(=O)C(N=C(O)C(N=C(O)C2CCCN2C(=O)C(N=C1O)C(C)O)C(O)C(O)c1ccc(O)cc1)C(C)O (1)
loss_18.0075 0.013
  • O (3)
loss_42.0075 0.013
  • CC=O (3)
fragment_148.1125 0.012
  • CNC(C)Cc1ccccc1 (1)
  • CCNc1c(C)cccc1C (1)
  • CCc1cccc(C)c1NC (1)
fragment_197.0975 0.010
  • COc1cccc(c1)Cc1ccccc1 (1)
  • COc1ccc(-cc2ccccc2)cc1 (1)
  • Cc1cccc(c-c2ccccc2)c1o (1)
  • c(coc1ccccc1)-c1ccccc1 (1)
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fragment_199.0775 0.010
  • Cc1ccoc2cc3occ(C)c3cc12 (3)
  • cc1occ(-c2ccccc2)c(=O)c1c (2)
  • C=C(C)CCOc1cccc2ccoc12 (1)
fragment_690.4425 0.010
loss_17.0075 0.010
  • O (1)
fragment_991.5425 0.010
  • CCCCCCCCCCCCCC(O)=NC1CC(O)C(O)N=C(O)C2C(O)C(C)CN2C(=O)C(N=C(O)C(N=C(O)C2CCCN2C(=O)C(N=C1O)C(C)O)C(O)C(O)c1ccc(O)cc1)C(C)O (1)
loss_17.0025 0.009
  • O (1)
fragment_326.1075 0.008
loss_122.0125 0.008
  • CCO.O=CCCl (1)
fragment_282.0875 0.007
  • COc1ccc(cc1C)C1CC(=O)c2c(O)cccc2O1 (1)
  • COc1cccc(C=C2Oc3cc(ccc3C2=O)OC)c1 (1)
fragment_388.1525 0.007
  • CC(O)C(C=O)N=C(O)C(N=CC1CCCN1)C(O)C(O)c1ccc(O)cc1 (1)
fragment_240.0775 0.007
  • COc1cc(C=Cc2cccc(O)c2)ccc1O (1)
  • Oc1ccc(cc1)-c1coc2cc(O)ccc2c1 (1)
  • COC1CC(C)C(C)C1c1ccc2OCOc2c1 (1)
  • Oc1ccc(cc1)-c1ccoc2cc(O)ccc12 (1)
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fragment_254.0875 0.007
fragment_308.1275 0.006
fragment_221.0975 0.006
fragment_326.1025 0.006
  • COc1ccc(cc1)-c1cc2ccc(cc2oc1=O)OCC(N)=O (1)
  • COc1ccc(cc1)-c1cc(=O)oc2cc(ccc12)OCC(N)=O (1)
loss_190.0825 0.006
fragment_309.0775 0.006
  • COc1ccc(cc1)-c1cc(=O)oc2cc(ccc12)OCC=O (2)
  • COc1ccc(cc1)-c1cc2ccc(cc2oc1=O)OCC=O (1)
loss_168.0625 0.006
fragment_254.0575 0.005
  • O=C1C(=Cc2cccc(O)c2)Oc2cc(O)ccc21 (1)
  • O=c1cc(oc2cc(O)ccc12)-c1ccc(O)cc1 (1)
  • O=c1cc(oc2ccc(O)cc12)-c1ccc(O)cc1 (1)
  • Cc1cc(O)c2Oc3ccccc3C(=O)OCc2c1 (1)
  • O=c1cc(-c2ccc(O)cc2)c2ccc(O)cc2o1 (1)
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  • O=c1cc(oc2cc(O)cc(O)c12)-c1ccccc1 (1)
  • O=c1c(coc2cc(O)ccc12)-c1ccc(O)cc1 (1)
fragment_210.0675 0.005
  • ccc(cc)-c1cc(=O)c2ccccc2o1 (1)
  • Oc1ccc(C=Cc2cccc(O)c2)cc1 (1)
  • O=c(c-c1ccccc1)c1ccccc1o (1)
fragment_211.0775 0.005
  • Oc1cccc(C=Cc2cccc(O)c2)c1 (1)
  • COc1ccc(-cc2ccccc2o)cc1 (1)
  • COc1cccc(c1)Oc1ccc(C)cc1 (1)
  • ccc(c)-c1coc2cc(ccc2c1)OC (1)
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fragment_225.0525 0.005
  • Cc1c(O)ccc2c1oc(=O)c1ccccc12 (2)
  • cc(O)c1c(=O)cc(oc1c)-c1ccccc1 (1)
  • O=c(c-c1ccccc1)c1ccc(O)cc1o (1)
fragment_254.0925 0.005
  • Cc1c(ccc(c-c2ccccc2)c1o)OCC=O (2)
  • CC(=O)Oc1ccc(cc1)c(=O)c-c1ccccc1 (1)
  • COc1ccc(cc1)-c1coc2cc(O)ccc2c1 (1)
  • C=CCC1CC(O)C(c2ccc3OCOc3c2)C1C (1)
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fragment_137.0225 0.005
  • O=cc1ccc(O)cc1o (5)
  • O=Cc1ccc(O)cc1O (2)
  • O=cc1cc(O)ccc1o (1)
  • O=coc1cccc(O)c1 (1)
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fragment_420.1825 0.005
  • COc1ccc(cc1)-c1cc2ccc(cc2oc1=O)OCC(=O)NCC1CCCCC1 (1)
  • COc1ccc(cc1)-c1cc(=O)oc2cc(ccc12)OCC(=O)NCC1CCCCC1 (1)
fragment_237.0525 0.005
  • O=C1C(=Cc2ccccc2)Oc2cc(O)ccc21 (1)
  • O=C1C(=Cc2cccc(O)c2)Oc2ccccc21 (1)
  • O=c1c(coc2cc(O)ccc12)-c1ccccc1 (1)
fragment_271.0975 0.004
  • Cc1cc(C=Cc2cc(O)c(C)c(O)c2)cc(O)c1O (1)
  • COc1cc(C=Cc2cc(O)cc(O)c2)cc(C)c1O (1)
  • C=CCC1C(C)C(c2ccc3OCOc3c2)C(O)C1O (1)
fragment_257.0825 0.004
  • Cc1cc(C=Cc2cc(O)cc(O)c2)cc(O)c1O (1)
  • COC1(O)CC(C)C(C)C1c1ccc2OCOc2c1 (1)
fragment_178.0775 0.004
  • Cc1cccc(c-c2ccccc2)c1 (2)
fragment_305.1125 0.004
  • OCC(N=C(O)C1CCCN1)C(O)C(O)c1ccc(O)cc1 (1)
  • O=CC(NC(=O)C1CCCN1)C(O)C(O)c1ccc(O)cc1 (1)
fragment_226.0625 0.004
  • cc1oc(cc(=O)c1c)-c1ccc(cc1)OC (1)
  • ccc1cc(=O)cc(o1)-c1ccc(cc1)OC (1)
  • Cc1c(O)ccc2c1oc(=O)c1ccccc12 (1)
  • CNC1CC(O)(CO)C(O)=C(C(=N)O)C1=O (1)
  • COccc1cc(=O)cc(o1)-c1ccccc1 (1)
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  • O=c(c-c1ccccc1)c1ccc(O)cc1o (1)
  • ccc(c)-c1coc2cc(ccc2c1=O)OC (1)
fragment_209.0575 0.004
  • O=c(c-c1ccccc1)c1ccccc1o (1)
  • ccc(c)-c1coc2cc(ccc2c1)OC (1)
fragment_228.0725 0.004
  • Cc1c(C)c2cc3c(C)coc3cc2oc1=O (2)
fragment_424.1725 0.004
  • CC(O)C(C=O)N=C(O)C(N=C(O)C1CC(O)CN1)C(O)C(O)c1ccc(O)cc1 (1)
  • CC(O)C(N)C(=O)N1CC(O)CC1C(=O)NC(C=O)C(O)C(O)c1ccc(O)cc1 (1)
fragment_255.0675 0.004
  • O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 (2)
loss_134.0925 0.004
fragment_972.5275 0.004
  • CCCCCCCCCCCCCC(O)=NC1CC(O)CN=C(O)C2C(O)C(C)CN2C(=O)C(N=C(O)C(N=C(O)C2CCCN2C(=O)C(N=C1O)C(C)O)C(O)C(O)c1ccc(O)cc1)C(C)O (1)
loss_182.0825 0.003
fragment_182.0725 0.003
  • Oc1cccc(c1)Cc1ccccc1 (1)
  • Ccc1cc(cco1)-c1ccccc1 (1)
  • cc1cc(coc1c)-c1ccccc1 (1)
fragment_249.0925 0.003
fragment_207.0775 0.003
fragment_252.0775 0.003
  • COc1ccc(cc1)-c1cc(=O)oc2ccccc12 (2)
  • Cc1c(O)ccc2c(cc(=O)oc12)-c1ccccc1 (1)
  • ccNC(=O)Nc1ccc(cc1)Oc1ccncc1 (1)
  • COc1ccc(cc1)-c1coc2ccccc2c1=O (1)
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fragment_281.1075 0.003
loss_153.0775 0.003
loss_108.0475 0.003
  • COCOC=O.O (1)
fragment_185.0975 0.003
loss_184.0625 0.003
fragment_205.1025 0.003
fragment_253.0475 0.003
  • O=C1C(=Cc2cccc(O)c2)Oc2cc(O)ccc21 (1)
  • O=c1c(coc2cc(O)ccc12)-c1ccc(O)cc1 (1)
fragment_179.0875 0.003
  • Cc1cccc(c-c2ccccc2)c1 (1)