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Mrv2104 06072104292D

11 11  0  0  0  0            999 V2000
   26.8448   -3.9566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4158   -3.9566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1302   -7.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4158   -8.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1302   -4.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1302   -6.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1302   -5.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4158   -6.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8448   -6.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8448   -5.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4158   -5.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  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 — 7 of approximately 7 results

PHUB001132 Score: 1.0	4-Ethylbenzoic acid metabolite	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB000986 Score: 0.915	4-isopropylbenzoic acid 536-66-3 metabolite	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB001025 Score: 0.915	Perillyl aldehyde metabolite 4 metabolite	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000297 Score: 0.884	Benzoic acid precursor metabolite	C₇H₆O₂ Mono mass: 122.036779433
PHUB000977 Score: 0.843	8-hydroxy-p-mentha-1,3,5-trien-7-oic acid metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000987 Score: 0.843	4-(1-Hydroxy-1-methylethyl)benzoic acid 3609-50-5 metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000978 Score: 0.811	9-hydroxy-p-mentha-1,3,5-trien-7-oic acid metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB000295 Score: 0.722	p-Hydroxybenzoic acid 99-96-7 precursor metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000979 Score: 0.717	p-mentha-1,3,5-trien-7,9-dioic acid metabolite	C₁₀H₁₀O₄ Mono mass: 194.057908802