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Mrv2104 06072104242D

11 11  0  0  0  0            999 V2000
   -0.3576    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3561    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0726   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3576   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3561   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0711   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3561    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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 — 14 of approximately 14 results

PHUB000612 Score: 1.0	Gallic aldehyde precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB000631 Score: 0.941	Protocatechuic aldehyde precursor	C₇H₆O₃ Mono mass: 138.031694053
PHUB001260 Score: 0.941	Protocatechualdehyde 139-85-5 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000645 Score: 0.817	Vanillin 121-33-5 precursor	C₈H₈O₃ Mono mass: 152.047344118
PHUB001998 Score: 0.814	isovanillin 621-59-0 metabolite	C₈H₈O₃ Mono mass: 152.047344118
PHUB000303 Score: 0.81	Gallic acid 149-91-7 precursor metabolite	C₇H₆O₅ Mono mass: 170.021523293
PHUB000644 Score: 0.81	Syringaldehyde 134-96-3 precursor	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000542 Score: 0.784	p-Hydroxybenzaldehyde 123-08-0 precursor metabolite	C₇H₆O₂ Mono mass: 122.036779433
PHUB001286 Score: 0.768	Phloroglucinaldehyde 487-70-7 metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB000310 Score: 0.762	Protocatechuic acid 99-50-3 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB000544 Score: 0.745	4-Methylcatechol precursor metabolite	C₇H₈O₂ Mono mass: 124.052429498
PHUB000293 Score: 0.742	α-resorcylic acid 99-10-5 metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB002977 Score: 0.742	3,5-Dihydroxybenzoic acid metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB001861 Score: 0.718	4'-O-Methylgallic acid 4319-02-2 precursor metabolite	C₈H₈O₅ Mono mass: 184.037173358
PHUB002087 Score: 0.708	test	C₈H₈O₅ Mono mass: 184.037173358
PHUB000567 Score: 0.702	Anisaldehyde (p-) precursor	C₈H₈O₂ Mono mass: 136.052429498
PHUB001268 Score: 0.702	4-Methoxybenzaldehyde metabolite	C₈H₈O₂ Mono mass: 136.052429498