Mass2Motif: motif_32

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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: Pregn-4 or 5-ene-3-dione substructure

Short Annotation: Pregn-4 or 5-ene-3-dione substructure

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 1.0. 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_159.1175 0.044
  • CC1CCCC2=CCCCC21C (7)
  • CC1CCCC2(C)CCCC=C12 (4)
  • CC1CCC=C2CCCCC21C (2)
  • CCC1CCCC2(C)CCCC12 (1)
  • C#CC1CCC2CCCCC12C (1)
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  • CC1CCCC2CCCCC12C (1)
  • C=CCCC(=C)C1CC(C)(C)C1 (1)
  • C=CCC=C1C(C)CCCC1C (1)
  • CC=C(C)CCCC(C)=CCC (1)
  • C=C1CCC2CCC(=C)CC2C1 (1)
  • CC1CCC2CCCCC2(C)C1 (1)
  • CC1CCC2C=CCCC2C1C (1)
fragment_145.1025 0.038
  • CC12CCCC=C1CCCC2 (8)
  • CC1CCCC2(C)CCCC12 (3)
  • CC1CCCC2CCCCC12 (2)
  • C=C1CCC=CCCCC1C (1)
  • Cc1cc(C)cc(c1)C(C)C (1)
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  • C=CCC=CCC=CCC=C (1)
  • CC=CCCC=C(C)CCC (1)
  • C=C(C)CC1CCCC(=C)C1 (1)
fragment_105.0675 0.032
  • CC1=CCCCC1C (9)
  • CC1(C)CCCCC1 (3)
  • C=C1CCCCC1C (2)
  • C#CC1CCCC1C (1)
  • CCC1CCCC1C (1)
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fragment_119.0875 0.028
  • CCC1=CCCCC1C (9)
  • C=CC(C)(CC)CCC (2)
  • CC1=CCCCC1(C)C (1)
  • C#CC1CCCC1(C)C (1)
  • CCC1CCCCC1C (1)
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  • CCC1CCC(C)C1C (1)
  • CCC1(C)CCCCC1 (1)
  • C=CC1CC(C)(C)C1C (1)
  • Cc1cccc(C)c1C (1)
  • CC=CCC=CCCC (1)
  • CC1CCCC(C)C1C (1)
  • C=CCC=CCC=CC (1)
  • C=C(C)CCCC(=C)C (1)
  • C=CCCCC(=C)CC (1)
  • CC1CCCCC1(C)C (1)
  • CC=CCCC(C)CC (1)
fragment_131.0875 0.028
  • CC12CCCCC1CCC2 (5)
  • C1CCC2CCCCC2C1 (3)
  • C1CCCC2CCCCC=12 (1)
  • C=C1CCC=CCCCC1 (1)
  • C=CCCC=C(C)CCC (1)
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fragment_133.1025 0.026
  • CC12CCCCC1CCC2 (8)
  • CC(C)C1=CCCCC1C (4)
  • C1CCC2CCCCC2C1 (3)
  • CCC1(C)CCCC=C1C (1)
  • C#CC1CCCC1(C)CC (1)
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  • CCC1(C)CCCCC1C (1)
  • CC1(C)CCCC(C)(C)C1 (1)
  • C=CC1CC(C)(C)C1CC (1)
  • CCc1c(C)cccc1C (1)
  • CC=C1C(C)CCCC1C (1)
  • C=CCC=CCCCCC (1)
  • CCC1CCCCC1(C)C (1)
  • CC=CCC=CCC=CC (1)
  • C=C(C)CCCC(C)=CC (1)
  • C=CCC1CCCC(=C)C1 (1)
  • CC=C(C)CCC(C)CC (1)
fragment_171.1175 0.025
  • CCC1CCCC2=CCCCC21C (4)
  • C#CC1CCC2C(C)CCCC12C (1)
  • C=CCCC=C(C)CCCC(=C)C (1)
  • CC1CCC(C)C2(C)CCCC=C12 (1)
  • C=C1CCC2CC(C)C(=C)CC2C1 (1)
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loss_162.1275 0.024
  • CC1CCC(O)CC1C.O.O (4)
fragment_147.1175 0.024
  • CC12CCCC=C1CCCC2 (7)
  • CC12CCCCC1CCCC2 (5)
  • CC1CCCC2(C)CCCC12 (3)
  • CC1CCC2CCCC2C1C (2)
  • Cc1ccc(cc1)C(C)(C)C (2)
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  • CC=C(C)CCC(C)C(C)C (1)
  • C=C(C)CC1CCCC(=C)C1 (1)
  • C=C(C)CCC=C(C)CCC (1)
  • CC=CCC=CCC=CCC (1)
  • CCC1(C)CCCC(C)(C)C1 (1)
  • CC1CCCC2CCCC=C12 (1)
  • Cc1cc(C)cc(c1)C(C)C (1)
  • CCCC1(C)CCCCC1C (1)
fragment_157.1025 0.024
  • CC1CCCC2=CCCCC21C (3)
  • CCC1CCC=C2CCCCC21 (1)
  • C=C1CCC2CCC(=C)CC2C1 (1)
loss_186.1275 0.023
  • CCC1(C)CCCC1(O)C(C)=O.O (2)
  • CC(=O)C1CCCC1(C)CCO.O (2)
  • CCC(C)CCC(C)CC(=O)O.O (1)
  • CC1(CCO)CCCC1C(=O)CO (1)
  • CC(O)C1CCCC1(C)CC=O.O (1)
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  • C=C1CC(O)CCC1C.CC(=O)O (1)
  • CCC1(C)CCCC1C(=O)CO.O (1)
  • CCC(=O)OC(CC)CCC1CO1 (1)
  • CC(=O)C1(O)CCCC1(C)CCO (1)
  • CC1C(CCCC1(C)C)C(=O)O.O (1)
  • CCC1(C)CCCC1(O)C(=O)CO (1)
fragment_173.1325 0.022
  • CCC1CCCC2=CCCCC21C (7)
  • CC1CCC(C)C2(C)CCCC=C12 (4)
  • CC1=CCCC2C1CCC(C)C2C (1)
  • C#CC1CCC2C(C)CCCC12C (1)
  • CCC1CCC2C(C)CCCC12C (1)
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  • CCC1CCC=C2CCCCC21C (1)
  • CC1(C)CCCC2(C)CCCCC12 (1)
  • CC=CCC=CCC=CCC=CC (1)
  • C=CCCC=C(C)CCCC(=C)C (1)
  • C=C1CCC2C(C)CC(=C)CC2C1 (1)
  • CC1CCC2CCCCC2(C)C1C (1)
  • CC1CCC2(C)C=CCCC2C1C (1)
loss_188.1425 0.021
  • CCC(C)CCC(C)CC(=O)O.O (1)
  • C.CC1(C)CCCC1C(=O)CO.O (1)
  • C=C(CCC(C)OCO)C(C)C.O (1)
  • CC(O)C1CCCC1(C)CC=O.O (1)
  • CC1(CCCO)CCC(O)CC1.O (1)
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  • CC(=CCO)CCC(O)C(C)(C)O (1)
  • C=C(C)CCC(O)C(C)=CC.O.O (1)
  • C.CC(=O)C1(O)CCCC1(C)C.O (1)
  • C.CC(=O)C1(O)C(O)CCC1(C)C (1)
  • CC1C(CCCC1(C)C)C(=O)O.O (1)
fragment_185.1325 0.018
  • C#CC1CCC2C(CC)CCCC12C (1)
  • CCC1C(C)CC=C2CCCCC21C (1)
  • CCC=CCC=CCC=CCCCC (1)
  • C=CCCCC(C)=CCCC(C)=CC (1)
  • CCC1CCC(C)C2=CCCCC21C (1)
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  • C=C1CCC2CC(CC)C(=C)CC2C1 (1)
loss_174.1275 0.017
  • CCC1CC(O)CCC1C.O.O (2)
  • C.CC=O.CCCCCC(=O)O (1)
  • CC(=O)C1(O)CCCC1(C)C.O (1)
  • CC1(C)CCCC(C1)C(=O)O.O (1)
  • CC(=O)C1CCCC1(C)C.O.O (1)
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loss_160.1125 0.017
  • CC1CCC(O)CC1C.O.O (3)
  • CCC(C)C(C)(O)C(=O)CO (2)
  • CC(=O)C1CCCC1C.O.O (2)
  • CCCCC(C)CC(=O)O.O (1)
  • CC=O.CCCCCC(=O)O (1)
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  • CC1CCCC1C(=O)CO.O (1)
  • C.CCCC(=O)COC(C)=O (1)
  • CCC1(C)CCCC1=O.O.O (1)
  • CCCCC(=CCO)CO.O (1)
loss_192.1375 0.016
  • CCC(C)C(O)(C(C)=O)C(C)O.O (1)
loss_198.1275 0.016
  • CC=O.CCC1=CC(=O)CCC1C.O (3)
  • CC1CCC(C(=O)CO)C1(C)CCO (1)
  • CCC1=CC(=O)CCC1C.O=CCO (1)
  • CCC1(C)C(C)CCC1(O)C(=O)CO (1)
  • CC(=O)C1(O)CCC(C)C1(C)CCO (1)
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  • CC1CCCC2(C)C(=O)CCC12.O.O (1)
loss_176.1425 0.015
  • CCC1CC(O)CCC1C.O.O (2)
  • C.CC1CCCC1C(=O)CO.O (1)
  • CC(O)C1CCCC1(C)C.O.O (1)
  • C=C(C)CCC(O)C(=C)C.O.O (1)
  • C.CC(=O)C1(O)CCCC1C.O (1)
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fragment_161.1325 0.014
  • CC1CCCC2=CCCCC21C (4)
  • CC1CCCC2CCCCC12C (4)
  • CC1CCCC2(C)CCCC=C12 (4)
  • CCC1CCCC2(C)CCCC12 (2)
  • CCCCC1(C)CCCC=C1C (1)
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  • CC1CCC=C2CCCCC21C (1)
  • Cc1cc(C)cc(c1)C(C)(C)C (1)
  • CCC1C(C)(C)CCCC1(C)C (1)
  • CC=CCC=CCC=CCCC (1)
  • CC=C(C)CCCC(C)=CCC (1)
  • C=C(CC)CC1CCCC(=C)C1 (1)
  • CC1CCC2C=CCCC2C1C (1)
fragment_107.0875 0.014
  • CC1=CCCCC1C (5)
  • CCC1CCCC1C (3)
  • C=CC(C)(C)CCC (2)
  • CC1CCCCC1C (2)
  • CC1CCCC(C)C1 (1)
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  • C=CCC=CCCC (1)
  • CC1(C)CCCCC1 (1)
  • C=C1CCCCC1C (1)
  • C=C(C)CCC=CC (1)
  • C=C1CCCC(C)C1 (1)
  • CC=C(C)CCCC (1)
loss_184.1125 0.012
  • CCC1(C)CCCC1(O)C(=O)CO (2)
  • CC1(CCO)CCCC1C(=O)CO (1)
  • CC(=O)O.CCC1=CC(=O)CCC1 (1)
  • CCC1(C)CCCC1C(=O)CO.O (1)
  • CC12CCCCC1CCC2=O.O.O (1)
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  • CC(=O)C1CCCC1(C)CCO.O (1)
loss_178.1225 0.012
  • CC(=O)C(O)(C(C)C)C(C)O.O (1)
loss_190.1225 0.012
  • CC1(C)CCCC1C(=O)CO.O.O (1)
  • CCC(CC)C(=O)COC(C)=O.O (1)
  • CC(=O)C1(O)CCCC1(C)C.O.O (1)
  • C.CC1CCC(OO1)C(C)C(=O)O (1)
  • CC(=O)C1(O)C(O)CCC1(C)C.O (1)
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loss_180.1375 0.011
fragment_197.1325 0.011
  • CC12CCCCC1=CCC1CCCCC12 (1)
fragment_211.1475 0.011