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Mrv2104 01042320042D

34 39  0  0  1  0            999 V2000
   16.6045  -10.1651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3231   -9.7520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8996   -9.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7712  -10.9742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9343  -10.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3267   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9032   -8.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1948  -10.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5904  -11.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7571  -10.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6149   -8.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1948   -8.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4797   -9.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0697  -11.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2363  -10.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4797   -8.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8925  -11.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0590  -11.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6914   -8.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5002  -12.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2258  -11.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9067   -8.8909    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1985   -8.4778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9067   -9.7103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4868   -8.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1985  -10.1235    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6219  -10.1235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4868   -9.7103    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7716   -8.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1985  -10.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7716  -10.1235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0598   -8.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8544  -10.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9343   -9.3006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 22 19  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  6  0  0  0
 25 28  1  0  0  0  0
 25 29  1  1  0  0  0
 26 30  1  1  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
  5  9  2  0  0  0  0
  7 11  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 20 21  1  0  0  0  0
 26 28  1  0  0  0  0
  1 33  1  6  0  0  0
  2 34  1  6  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 — 19 of approximately 19 results

PHUB003037 Score: 1.0	Trifolirhizin precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB001715 Score: 0.859	Pisatin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB000329 Score: 0.784	Viniferin 3',5'-diglucoside (Epsilon-) precursor	C₄₀H₄₂O₁₆ Mono mass: 778.247285272
PHUB000267 Score: 0.766	(+)-Catechin 3-O-glucose precursor	C₂₁H₂₄O₁₁ Mono mass: 452.131861593
PHUB001712 Score: 0.754	(-)-Variabilin precursor	C₁₇H₁₆O₅ Mono mass: 300.099773615
PHUB001714 Score: 0.749	Glycinol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001556 Score: 0.748	trans-δ-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406
PHUB001896 Score: 0.741	3'-Methyl-epicatechin-7-O-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002148 Score: 0.741	3′-Methoxy-(−)-epicatechin-7-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001746 Score: 0.74	(-)-Epicatechin-7-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB002310 Score: 0.74	4′-methoxy-(−)-epicatechin-7-β-D-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001744 Score: 0.739	3'-O-Methoxy-(-)-epicatechin-5-O-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002266 Score: 0.739	3′-Methoxy-(−)-epicatechin-5′-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001743 Score: 0.738	(-)-Epicatechin-5-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB001555 Score: 0.729	ε-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406
PHUB003025 Score: 0.726	Equol 7-O-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB003026 Score: 0.722	Equol 4'-O-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001029 Score: 0.718	(-)-Epicatechin 3'-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB002311 Score: 0.718	(+)-epicatechin-3′-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148