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Mrv2104 01272315522D

34 37  0  0  1  0            999 V2000
    0.7144   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -2.8578   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.8562    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    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6187    0.0000 C   0  0  2  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
    0.0000   -1.4437    0.0000 C   0  0  2  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
   -3.5723   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    2.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.8562    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
    0.7144   -1.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.2687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  9  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  1  0  0  0  0
 14 12  2  0  0  0  0
 15  3  1  0  0  0  0
 15 13  2  0  0  0  0
 16  4  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 18 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 19 21  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  2  0  0  0  0
 31 18  1  0  0  0  0
 21 31  1  0  0  0  0
 19 32  1  0  0  0  0
 32 22  1  0  0  0  0
 19 33  1  6  0  0  0
 21 34  1  6  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 — 30 of approximately 43 results

PHUB000263 Score: 1.0	(-)-Epicatechin 3-O-gallate 1257-08-5 precursor	C₂₂H₁₈O₁₀ Mono mass: 442.08999678
PHUB000265 Score: 1.0	(-)-Epigallocatechin 3-O-gallate precursor	C₂₂H₁₈O₁₁ Mono mass: 458.0849114
PHUB000266 Score: 1.0	(+)-catechin-3-O-gallate 25615-05-8 precursor	C₂₂H₁₈O₁₀ Mono mass: 442.08999678
PHUB000269 Score: 1.0	(+)-Gallocatechin 3-O-gallate precursor	C₂₂H₁₈O₁₁ Mono mass: 458.0849114
PHUB000274 Score: 0.881	Epigallocatechin-(4b,8)-epicatechin-3-O-gallate ester precursor	C₃₇H₃₀O₁₇ Mono mass: 746.148299506
PHUB000289 Score: 0.85	Theasinensin A precursor	C₄₄H₃₄O₂₂ Mono mass: 914.154172735
PHUB000286 Score: 0.846	Theaflavin 3,3'-O-digallate precursor	C₄₃H₃₂O₂₀ Mono mass: 868.14869343
PHUB000287 Score: 0.846	Theaflavin 3'-O-gallate precursor	C₃₆H₂₈O₁₆ Mono mass: 716.137734822
PHUB000288 Score: 0.846	Theaflavin 3-O-gallate precursor	C₃₆H₂₈O₁₆ Mono mass: 716.137734822
PHUB000261 Score: 0.8	(+)-Catechin 154-23-4 precursor	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB000262 Score: 0.8	(-)-Epicatechin 490-46-0 precursor metabolite	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB000264 Score: 0.8	(-)-Epigallocatechin precursor	C₁₅H₁₄O₇ Mono mass: 306.073952791
PHUB000268 Score: 0.8	(+)-Gallocatechin precursor	C₁₅H₁₄O₇ Mono mass: 306.073952791
PHUB001241 Score: 0.8	(Epi)catechin metabolite	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB002189 Score: 0.8	(−)-Gallocatechin precursor metabolite	C₁₅H₁₄O₇ Mono mass: 306.073952791
PHUB002190 Score: 0.8	(−)-Catechin precursor metabolite	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB002207 Score: 0.8	(+)-Epicatechin precursor metabolite	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB001747 Score: 0.791	3'-O-Methyl-epicatechin metabolite	C₁₆H₁₆O₆ Mono mass: 304.094688235
PHUB002215 Score: 0.791	3'-Methoxy-(+)-catechin metabolite	C₁₆H₁₆O₆ Mono mass: 304.094688235
PHUB001146 Score: 0.77	Tamarixetin metabolite	C₁₆H₁₄O₇ Mono mass: 318.073952791
PHUB001756 Score: 0.77	Taxifolin 480-18-2 precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB001762 Score: 0.77	Dihydroquercetin precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB000270 Score: 0.729	Afzelechin precursor	C₁₅H₁₄O₅ Mono mass: 274.084123551
PHUB000267 Score: 0.725	(+)-Catechin 3-O-glucose precursor	C₂₁H₂₄O₁₁ Mono mass: 452.131861593
PHUB000281 Score: 0.718	Procyanidin dimer B7 precursor	C₃₀H₂₆O₁₂ Mono mass: 578.142426277
PHUB000273 Score: 0.715	Cinnamtannin A2 precursor	C₆₀H₅₀O₂₄ Mono mass: 1154.26920249
PHUB000276 Score: 0.715	Procyanidin dimer B1 20315-25-7 precursor	C₃₀H₂₆O₁₂ Mono mass: 578.142426277
PHUB000277 Score: 0.715	Procyanidin dimer B2 29106-49-8 precursor	C₃₀H₂₆O₁₂ Mono mass: 578.142426277
PHUB000278 Score: 0.715	Procyanidin dimer B3 23567-23-9 precursor	C₃₀H₂₆O₁₂ Mono mass: 578.142426277
PHUB000279 Score: 0.715	Procyanidin dimer B4 precursor	C₃₀H₂₆O₁₂ Mono mass: 578.142426277
PHUB000282 Score: 0.715	Procyanidin trimer C1 37064-30-5 precursor	C₄₅H₃₈O₁₈ Mono mass: 866.205814384