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Mrv2104 01272315542D

13 13  0  0  1  0            999 V2000
    1.4289    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5722    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  7  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
  6 13  1  0  0  0  0
 13  8  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 — 15 of approximately 15 results

PHUB002087 Score: 1.0	test	C₈H₈O₅ Mono mass: 184.037173358
PHUB001279 Score: 0.958	Methyl-3,4-dihydroxybenzoate metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000306 Score: 0.935	Gallic acid ethyl ester precursor	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB000303 Score: 0.875	Gallic acid 149-91-7 precursor metabolite	C₇H₆O₅ Mono mass: 170.021523293
PHUB001282 Score: 0.864	Methylvanillate metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000310 Score: 0.833	Protocatechuic acid 99-50-3 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB001861 Score: 0.81	4'-O-Methylgallic acid 4319-02-2 precursor metabolite	C₈H₈O₅ Mono mass: 184.037173358
PHUB000293 Score: 0.792	α-resorcylic acid 99-10-5 metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB002977 Score: 0.792	3,5-Dihydroxybenzoic acid metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB001276 Score: 0.772	Isovanillic acid 645-08-9 metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000316 Score: 0.765	Vanillic acid 121-34-6 precursor metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000313 Score: 0.762	Syringic acid 530-57-4 precursor metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB001218 Score: 0.756	veratric acid 93-07-2 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000294 Score: 0.75	3-Hydroxybenzoic acid 99-06-9 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000612 Score: 0.708	Gallic aldehyde precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB000290 Score: 0.7	2,3-Dihydroxybenzoic acid precursor	C₇H₆O₄ Mono mass: 154.026608673