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Mrv2104 06072104292D

12 12  0  0  0  0            999 V2000
    6.2464    3.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    3.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    2.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    2.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609    2.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9609    3.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6754    3.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175    2.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    1.3553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6754    4.6554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3898    3.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175    1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  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

PHUB001276 Score: 1.0	Isovanillic acid 645-08-9 metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000316 Score: 0.958	Vanillic acid 121-34-6 precursor metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001861 Score: 0.958	4'-O-Methylgallic acid 4319-02-2 precursor metabolite	C₈H₈O₅ Mono mass: 184.037173358
PHUB001218 Score: 0.944	veratric acid 93-07-2 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000313 Score: 0.895	Syringic acid 530-57-4 precursor metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB000310 Score: 0.882	Protocatechuic acid 99-50-3 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB001282 Score: 0.861	Methylvanillate metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000303 Score: 0.845	Gallic acid 149-91-7 precursor metabolite	C₇H₆O₅ Mono mass: 170.021523293
PHUB001998 Score: 0.824	isovanillin 621-59-0 metabolite	C₈H₈O₃ Mono mass: 152.047344118
PHUB001279 Score: 0.803	Methyl-3,4-dihydroxybenzoate metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000645 Score: 0.8	Vanillin 121-33-5 precursor	C₈H₈O₃ Mono mass: 152.047344118
PHUB000294 Score: 0.794	3-Hydroxybenzoic acid 99-06-9 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB002087 Score: 0.772	test	C₈H₈O₅ Mono mass: 184.037173358
PHUB000293 Score: 0.761	α-resorcylic acid 99-10-5 metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB002977 Score: 0.761	3,5-Dihydroxybenzoic acid metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB001889 Score: 0.757	Vanillyl alcohol 498-00-0 precursor metabolite	C₈H₁₀O₃ Mono mass: 154.062994182
PHUB000644 Score: 0.747	Syringaldehyde 134-96-3 precursor	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000290 Score: 0.737	2,3-Dihydroxybenzoic acid precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB000295 Score: 0.735	p-Hydroxybenzoic acid 99-96-7 precursor metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000306 Score: 0.726	Gallic acid ethyl ester precursor	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB000308 Score: 0.714	Gentisic acid 490-79-9 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB000631 Score: 0.706	Protocatechuic aldehyde precursor	C₇H₆O₃ Mono mass: 138.031694053
PHUB001260 Score: 0.706	Protocatechualdehyde 139-85-5 metabolite	C₇H₆O₃ Mono mass: 138.031694053