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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

PHUB000295 Score: 1.0	p-Hydroxybenzoic acid 99-96-7 precursor metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000310 Score: 0.833	Protocatechuic acid 99-50-3 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB000291 Score: 0.82	2,4-Dihydroxybenzoic acid precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB001129 Score: 0.82	2,4,6-Trihydroxybenzoic acid metabolite	C₇H₆O₅ Mono mass: 170.021523293
PHUB000542 Score: 0.8	p-Hydroxybenzaldehyde 123-08-0 precursor metabolite	C₇H₆O₂ Mono mass: 122.036779433
PHUB000303 Score: 0.794	Gallic acid 149-91-7 precursor metabolite	C₇H₆O₅ Mono mass: 170.021523293
PHUB000294 Score: 0.793	3-Hydroxybenzoic acid 99-06-9 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000312 Score: 0.793	Salicylic acid precursor	C₇H₆O₃ Mono mass: 138.031694053
PHUB000297 Score: 0.76	Benzoic acid precursor metabolite	C₇H₆O₂ Mono mass: 122.036779433
PHUB000292 Score: 0.754	2,6-Dihydroxybenzoic acid precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB000293 Score: 0.754	α-resorcylic acid 99-10-5 metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB002977 Score: 0.754	3,5-Dihydroxybenzoic acid metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB001276 Score: 0.735	Isovanillic acid 645-08-9 metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001258 Score: 0.725	2-Hydroxy-4-methoxybenzoic acid metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001279 Score: 0.725	Methyl-3,4-dihydroxybenzoate metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001132 Score: 0.722	4-Ethylbenzoic acid metabolite	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB000567 Score: 0.714	Anisaldehyde (p-) precursor	C₈H₈O₂ Mono mass: 136.052429498
PHUB001268 Score: 0.714	4-Methoxybenzaldehyde metabolite	C₈H₈O₂ Mono mass: 136.052429498
PHUB000316 Score: 0.704	Vanillic acid 121-34-6 precursor metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001861 Score: 0.704	4'-O-Methylgallic acid 4319-02-2 precursor metabolite	C₈H₈O₅ Mono mass: 184.037173358
PHUB000308 Score: 0.701	Gentisic acid 490-79-9 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673