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Mrv2104 02152315272D

28 30  0  0  0  0            999 V2000
   -3.8356    2.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5501    2.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5501    1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8356    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1211    1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1211    2.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6922    1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6922    2.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067    2.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9777    0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9777    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    1.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511    0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    0.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2645    2.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8356    0.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067    0.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656    0.0184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656   -0.8065    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656   -1.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3406   -0.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9906   -0.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9790    2.4934    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6935    2.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5665    1.7789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3915    3.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
  8 12  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
  7 19  2  0  0  0  0
  4 18  1  0  0  0  0
  2 17  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 17 25  1  0  0  0  0
 25 28  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  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 — 21 of approximately 21 results

PHUB002128 Score: 1.0	Genistein 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB002601 Score: 1.0	Genistein-4',7-disulfate metabolite	C₁₅H₁₀O₁₁S₂ Mono mass: 429.96645349
PHUB002129 Score: 0.954	Genistein 4'-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB001355 Score: 0.935	Daidzein 7-O-sulfate metabolite	C₁₅H₁₀O₇S Mono mass: 334.014723836
PHUB002132 Score: 0.915	Daidzein 4'-O-sulfate metabolite	C₁₅H₁₀O₇S Mono mass: 334.014723836
PHUB000225 Score: 0.784	Genistein precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB003028 Score: 0.775	Apigenin 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB000220 Score: 0.759	Biochanin A precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB002599 Score: 0.758	6-Hydroxygenistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB002600 Score: 0.75	8-hydroxy-genistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB002598 Score: 0.747	3'-Hydroxygenistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000222 Score: 0.739	Daidzein precursor metabolite	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000230 Score: 0.736	Prunetin precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000224 Score: 0.722	Formononetin precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB003030 Score: 0.719	Baicalein-7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB003035 Score: 0.716	Pratensein 2284-31-3 precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB001358 Score: 0.715	2'-Hydroxydaidzein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001771 Score: 0.714	4',6,7-Trihydroxyisoflavanone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002120 Score: 0.714	6-Hydroxydaidzein 17817-31-1 metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001580 Score: 0.705	Quercetin 7-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB001772 Score: 0.704	3',4',7-Trihydroxyisoflavanone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002122 Score: 0.704	3'-Hydroxydaidzein metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001773 Score: 0.701	4',7,8-Trihydroxyisoflavanone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002121 Score: 0.701	8-Hydroxydaidzein 75187-63-2 metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422