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ginsenoside Re
  Mrv2104 06072104192D

66 72  0  0  1  0            999 V2000
    1.4403    6.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9084    6.1842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1887    5.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6569    4.7776    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9372    4.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7493    3.8565    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2812    4.4872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0009    5.2631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933    4.3420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6251    4.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3736    3.5660    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1857    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4660    2.6449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    2.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296    3.0805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4978    2.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781    1.6739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5902    1.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705    0.7528    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4023    1.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387    0.1221    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6190   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311   -0.7991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7114   -1.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.1684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7875   -0.1416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0168    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340    1.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826    0.6076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7422    1.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2939   -0.7929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9452   -0.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6425   -1.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7554   -2.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041   -2.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169   -3.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656   -3.9464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9811   -3.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002   -1.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6175   -1.3314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9284   -0.5672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456   -0.4543    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0565    0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8737    0.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2520   -1.1057    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0692   -0.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9411   -1.8698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4474   -2.5212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1238   -1.9827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8129   -2.7469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    0.2673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8069   -0.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976    0.5577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9098    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793    1.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7182    1.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463    1.0432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1552    4.9228    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6870    4.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4355    5.6987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2476    5.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0963    6.3295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1840    7.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  1  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 19 29  1  0  0  0  0
 25 29  1  1  0  0  0
 29 30  1  1  0  0  0
 26 31  1  6  0  0  0
 31 32  1  6  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 31 39  1  1  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  6  0  0  0
 43 44  1  0  0  0  0
 42 45  1  0  0  0  0
 45 46  1  1  0  0  0
 45 47  1  0  0  0  0
 47 48  1  6  0  0  0
 47 49  1  0  0  0  0
 40 49  1  0  0  0  0
 49 50  1  1  0  0  0
 21 51  1  0  0  0  0
 51 52  1  6  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  6  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  0  0  0  0
 60 57  1  6  0  0  0
 17 60  1  0  0  0  0
 51 60  1  0  0  0  0
  4 61  1  0  0  0  0
 61 62  1  6  0  0  0
 61 63  1  0  0  0  0
 63 64  1  6  0  0  0
 63 65  1  0  0  0  0
  2 65  1  0  0  0  0
 65 66  1  1  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 — 27 of approximately 27 results

PHUB000167 Score: 1.0	Ginsenoside Re precursor	C₄₈H₈₂O₁₈ Mono mass: 946.5501158
PHUB000168 Score: 1.0	Ginsenoside Rf precursor	C₄₂H₇₂O₁₄ Mono mass: 800.492206998
PHUB002095 Score: 1.0	Ginsenoside Rd 52705-93-8 metabolite	C₄₈H₈₂O₁₈ Mono mass: 946.5501158
PHUB002097 Score: 1.0	Ginsenoside Rb2 11021-13-9 precursor	C₅₃H₉₀O₂₂ Mono mass: 1078.592374538
PHUB002098 Score: 1.0	Ginsenoside Rc 11021-14-0 precursor	C₅₃H₉₀O₂₂ Mono mass: 1078.592374538
PHUB002099 Score: 1.0	Ginsenoside Rb1 precursor	C₅₄H₉₂O₂₃ Mono mass: 1108.602939222
PHUB002100 Score: 1.0	Ginsenoside Rg3 14197-60-5 metabolite	C₄₂H₇₂O₁₃ Mono mass: 784.497292378
PHUB000954 Score: 0.98	Ginsenoside Rg2 metabolite	C₄₂H₇₂O₁₃ Mono mass: 784.497292378
PHUB000169 Score: 0.98	Ginsenoside Rg1 metabolite	C₄₂H₇₂O₁₄ Mono mass: 800.492206998
PHUB000953 Score: 0.98	Ginsenoside Rh1 metabolite	C₃₆H₆₂O₉ Mono mass: 638.439383576
PHUB000955 Score: 0.98	Ginsenoside F1 metabolite	C₃₆H₆₂O₉ Mono mass: 638.439383576
PHUB002094 Score: 0.98	Ginsenoside C 39262-14-1 metabolite	C₃₆H₆₂O₈ Mono mass: 622.444468956
PHUB002096 Score: 0.98	Ginsenoside F2 62025-49-4 metabolite	C₄₂H₇₂O₁₃ Mono mass: 784.497292378
PHUB002102 Score: 0.98	Ginsenoside Rh2 78214-33-2 metabolite	C₃₆H₆₂O₈ Mono mass: 622.444468956
PHUB000013 Score: 0.816	Capsicoside A precursor	C₆₃H₁₀₆O₃₅ Mono mass: 1422.651465113
PHUB000016 Score: 0.816	Officinalisnin I precursor	C₄₅H₇₆O₁₉ Mono mass: 920.498080227
PHUB000011 Score: 0.786	Asparagoside A precursor	C₃₃H₅₄O₈ Mono mass: 578.381868699
PHUB000019 Score: 0.774	Trigonelloside C precursor	C₅₁H₈₄O₂₂ Mono mass: 1048.545424345
PHUB002575 Score: 0.774	Protodioscin 55056-80-9 precursor	C₅₁H₈₄O₂₂ Mono mass: 1048.545424345
PHUB002889 Score: 0.774	Avenacoside A precursor	C₅₁H₈₂O₂₃ Mono mass: 1062.5246889
PHUB000015 Score: 0.731	Nuatigenin precursor	C₂₇H₄₂O₄ Mono mass: 430.308309832
PHUB000185 Score: 0.716	Soyasapogenol B precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000186 Score: 0.716	Soyasaponin A1 precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000187 Score: 0.716	Soyasaponin I precursor	C₄₈H₇₈O₁₈ Mono mass: 942.518815672
PHUB000992 Score: 0.702	Limonene-8,9-diol glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002622 Score: 0.702	Limonene-8,9-diol glucuronide II metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002528 Score: 0.701	Matesaponin 2 164178-27-2 precursor	C₅₃H₈₆O₂₁ Mono mass: 1058.566159789
PHUB002529 Score: 0.701	Matesaponin 3 164178-28-3 precursor	C₅₃H₈₆O₂₂ Mono mass: 1074.561074409
PHUB002530 Score: 0.701	Matesaponin 4 164178-29-4 precursor	C₅₉H₉₆O₂₆ Mono mass: 1220.618983211