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Mrv2104 06072104302D

25 26  0  0  0  0            999 V2000
   19.5531   -8.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8435   -8.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1308   -8.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8435   -7.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4139   -8.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1343   -7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4175   -7.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7012   -8.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1239   -6.3242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2679   -8.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4120   -8.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4052   -9.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6952   -8.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6849  -10.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1144  -10.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9792   -8.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9756   -9.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8332   -5.9029    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.3501   -5.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3049   -6.6668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4973   -5.5493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9607   -8.8498    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.9455   -9.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2514   -8.8453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9678   -8.0620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  9  1  0  0  0  0
  6  7  2  0  0  0  0
  1 10  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  2  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
M  END

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(+)-Catechin
  Mrv1572001071604202D

21 23  0  0  1  0            999 V2000
    2.0414   -2.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -2.2589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6125   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -3.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    0.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -1.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 14 20  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
M  END

Results 1 — 14 of approximately 14 results

PHUB001414 Score: 1.0	Dihydro-resveratrol-3-O-sulfate metabolite	C₁₄H₁₄O₆S Mono mass: 310.051109345
PHUB001495 Score: 1.0	Dihydro-resveratrol-disulfate metabolite	C₁₄H₁₄O₉S₂ Mono mass: 390.007924379
PHUB001383 Score: 0.806	3,5-Dihydroxyphenylpropanoic acid sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB002910 Score: 0.784	5-(3,5-dihydroxyphenyl)pentanoic sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002286 Score: 0.741	3-(phenyl)propionic acid-3′-sulfate metabolite	C₉H₁₀O₆S Mono mass: 246.019809216
PHUB002804 Score: 0.741	3-(phenyl)-propionic acid-3’-sulfate metabolite	C₉H₁₀O₆S Mono mass: 246.019809216
PHUB002387 Score: 0.724	Hydroxytyrosol 3'-sulfate metabolite	C₈H₁₀O₆S Mono mass: 234.019809216
PHUB002264 Score: 0.721	5-(Phenyl)valeric acid-3′-sulfate metabolite	C₁₁H₁₄O₆S Mono mass: 274.051109345
PHUB002789 Score: 0.721	5-(Phenyl)valeric acid 3'-sulfate metabolite	C₁₁H₁₄O₆S Mono mass: 274.051109345
PHUB001588 Score: 0.707	Dihydrocaffeic acid-3-sulfate 1187945-70-5 metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001753 Score: 0.707	3-(4'-Hydroxyphenyl)propionic acid-3'-sulfate metabolite	C₉H₁₀O₇S Mono mass: 262.014723836
PHUB001412 Score: 0.704	trans-Resveratrol 3-O-sulfate metabolite	C₁₄H₁₂O₆S Mono mass: 308.03545928
PHUB001486 Score: 0.704	trans-Resveratrol-3,5-disulfate metabolite	C₁₄H₁₂O₉S₂ Mono mass: 387.992274314
PHUB001487 Score: 0.704	trans-Resveratrol-3,4′-disulfate metabolite	C₁₄H₁₂O₉S₂ Mono mass: 387.992274314
PHUB001488 Score: 0.704	trans-Resveratrol-3,4′,5-trisulfate metabolite	C₁₄H₁₂O₁₂S₃ Mono mass: 467.949089348
PHUB001502 Score: 0.704	cis-Resveratrol-3-sulfate metabolite	C₁₄H₁₂O₆S Mono mass: 308.03545928
PHUB001951 Score: 0.704	Dopamine 3-O-sulfate 51317-41-0 metabolite biomarker	C₈H₁₁NO₅S Mono mass: 233.035793632