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11702450
  Mrv2104 02102314162D

23 23  0  0  0  0            999 V2000
    4.5079   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  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 — 30 of approximately 36 results

PHUB002592 Score: 1.0	5-Pentadecadienylresorcinol 79473-25-9 precursor	C₂₁H₃₂O₂ Mono mass: 316.24023027
PHUB002929 Score: 1.0	5-(Henei-12Z,15Z-cosadienyl)-resorcinol precursor	C₂₇H₄₄O₂ Mono mass: 400.334130657
PHUB002937 Score: 1.0	5-(Tri-14Z,17Z-cosadienyl)-resorcinol precursor	C₂₉H₄₈O₂ Mono mass: 428.365430786
PHUB002944 Score: 1.0	5-(Penta-16Z,19Z-cosadienyl)-resorcinol precursor	C₃₁H₅₂O₂ Mono mass: 456.396730914
PHUB000553 Score: 0.957	5-Heptadecenylresorcinol precursor	C₂₃H₃₈O₂ Mono mass: 346.287180464
PHUB000555 Score: 0.957	5-Nonadecenylresorcinol precursor	C₂₅H₄₂O₂ Mono mass: 374.318480592
PHUB000559 Score: 0.957	5-Pentacosenylresorcinol precursor	C₃₁H₅₄O₂ Mono mass: 458.412380979
PHUB000563 Score: 0.957	5-Tricosenylresorcinol precursor	C₂₉H₅₀O₂ Mono mass: 430.38108085
PHUB001688 Score: 0.957	5-Heneicosenylresorcinol precursor	C₂₇H₄₆O₂ Mono mass: 402.349780721
PHUB002547 Score: 0.957	5-(12-Heptadecenyl)-resorcinol 103462-06-2 precursor	C₂₃H₃₈O₂ Mono mass: 346.287180464
PHUB002591 Score: 0.957	5-Pentadecenylresorcinol 22910-86-7 precursor	C₂₁H₃₄O₂ Mono mass: 318.255880335
PHUB000582 Score: 0.913	Cardanol [(15:1)-] precursor	C₂₁H₃₄O Mono mass: 302.260965715
PHUB002930 Score: 0.873	5-(4-Hydroxy,12Z,15Z-heneicosenyl)-resorcinol precursor	C₂₇H₄₄O₃ Mono mass: 416.329045277
PHUB002938 Score: 0.873	5-(4-Hydroxy,14Z,17Z-tricosadienyl)-resorcinol precursor	C₂₉H₄₈O₃ Mono mass: 444.360345406
PHUB002926 Score: 0.831	5-(2-oxo,10Z,13Z-nonadecadienyl)-resorcinol precursor	C₂₅H₃₈O₃ Mono mass: 386.282095084
PHUB002931 Score: 0.831	5-(2-Oxo,12Z,15Z-heneicosenyl)-resorcinol precursor	C₂₇H₄₂O₃ Mono mass: 414.313395212
PHUB002939 Score: 0.831	5-(2-Oxo,14Z,17Z-tricosadienyl)-resorcinol precursor	C₂₉H₄₆O₃ Mono mass: 442.344695341
PHUB002945 Score: 0.831	5-(2-Oxo,16Z,19Z-pentacosadienyl)-resorcinol precursor	C₃₁H₅₀O₃ Mono mass: 470.37599547
PHUB002925 Score: 0.812	5-(Nona-10Z,13Z-decadienyl)-resorcinol precursor	C₂₅H₃₈O₄ Mono mass: 402.277009704
PHUB002933 Score: 0.807	5-n-(2'-oxo-14'-(Z)-heneicosenyl)resorcinol precursor	C₂₇H₄₄O₃ Mono mass: 416.329045277
PHUB000552 Score: 0.797	5-Heneicosylresorcinol 70110-59-7 precursor	C₂₇H₄₈O₂ Mono mass: 404.365430786
PHUB000554 Score: 0.797	5-Heptadecylresorcinol 41442-57-3 precursor	C₂₃H₄₀O₂ Mono mass: 348.302830528
PHUB000556 Score: 0.797	5-Nonadecylresorcinol 35176-46-6 precursor	C₂₅H₄₄O₂ Mono mass: 376.334130657
PHUB000560 Score: 0.797	5-Pentacosylresorcinol 70110-61-1 precursor	C₃₁H₅₆O₂ Mono mass: 460.428031043
PHUB000561 Score: 0.797	5-Pentadecylresorcinol 3158-56-3 precursor	C₂₁H₃₆O₂ Mono mass: 320.271530399
PHUB000564 Score: 0.797	5-Tricosylresorcinol 70110-60-0 precursor	C₂₉H₅₂O₂ Mono mass: 432.396730914
PHUB001379 Score: 0.797	Alkenylresorcinol C19:0 precursor	C₂₅H₄₄O₂ Mono mass: 376.334130657
PHUB002317 Score: 0.797	5-Eicosylresorcinol 64645-61-0 precursor	C₂₆H₄₆O₂ Mono mass: 390.349780721
PHUB002318 Score: 0.797	5-Octadecylresorcinol precursor	C₂₄H₄₂O₂ Mono mass: 362.318480592
PHUB002400 Score: 0.797	5-hexadecyl-1,3-Benzenediol 84765-48-0 metabolite	C₂₂H₃₈O₂ Mono mass: 334.287180464
PHUB002898 Score: 0.797	5-n-docosylresorcinol 64645-62-1 precursor	C₂₈H₅₀O₂ Mono mass: 418.381080833