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5-(4-Hydroxy,14Z,17Z-tricosadienyl)-resorcinolÂ .mol
  Mrv2104 01152321263D

32 32  0  0  1  0            999 V2000
    4.4135   -1.0762   -0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446   -1.2773   -0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3459   -0.9307   -0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161   -0.3832   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0471   -0.5842   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5502    0.1087   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3788    1.0028    0.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6776    1.3493    0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9763    1.6958    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2543    2.0378    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9140    0.7745    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1404    1.1300   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7320    1.4982    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9585    1.8537    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6182    0.5904   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4658    2.3778   -0.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7950   -0.1125   -0.1169 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9433   -1.6237   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7052   -1.4246   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2886   -2.0080   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0855   -1.7944   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6689   -2.3778   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4658   -2.1643   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4464    1.1482    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1477    0.8017    0.0020 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3613    0.0048    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 31  1  0  0  0  0
 31 14  1  0  0  0  0
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 30 15  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
  6  5  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
 31 32  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 — 22 of approximately 22 results

PHUB002930 Score: 1.0	5-(4-Hydroxy,12Z,15Z-heneicosenyl)-resorcinol precursor	C₂₇H₄₄O₃ Mono mass: 416.329045277
PHUB002938 Score: 1.0	5-(4-Hydroxy,14Z,17Z-tricosadienyl)-resorcinol precursor	C₂₉H₄₈O₃ Mono mass: 444.360345406
PHUB002924 Score: 0.882	5-(2-Hydroxynonadecenyl)-resorcinol precursor metabolite	C₂₅H₄₂O₃ Mono mass: 390.313395212
PHUB002592 Score: 0.873	5-Pentadecadienylresorcinol 79473-25-9 precursor	C₂₁H₃₂O₂ Mono mass: 316.24023027
PHUB002929 Score: 0.873	5-(Henei-12Z,15Z-cosadienyl)-resorcinol precursor	C₂₇H₄₄O₂ Mono mass: 400.334130657
PHUB002937 Score: 0.873	5-(Tri-14Z,17Z-cosadienyl)-resorcinol precursor	C₂₉H₄₈O₂ Mono mass: 428.365430786
PHUB002944 Score: 0.873	5-(Penta-16Z,19Z-cosadienyl)-resorcinol precursor	C₃₁H₅₂O₂ Mono mass: 456.396730914
PHUB000553 Score: 0.835	5-Heptadecenylresorcinol precursor	C₂₃H₃₈O₂ Mono mass: 346.287180464
PHUB000555 Score: 0.835	5-Nonadecenylresorcinol precursor	C₂₅H₄₂O₂ Mono mass: 374.318480592
PHUB000559 Score: 0.835	5-Pentacosenylresorcinol precursor	C₃₁H₅₄O₂ Mono mass: 458.412380979
PHUB000563 Score: 0.835	5-Tricosenylresorcinol precursor	C₂₉H₅₀O₂ Mono mass: 430.38108085
PHUB001688 Score: 0.835	5-Heneicosenylresorcinol precursor	C₂₇H₄₆O₂ Mono mass: 402.349780721
PHUB002547 Score: 0.835	5-(12-Heptadecenyl)-resorcinol 103462-06-2 precursor	C₂₃H₃₈O₂ Mono mass: 346.287180464
PHUB002591 Score: 0.835	5-Pentadecenylresorcinol 22910-86-7 precursor	C₂₁H₃₄O₂ Mono mass: 318.255880335
PHUB002925 Score: 0.822	5-(Nona-10Z,13Z-decadienyl)-resorcinol precursor	C₂₅H₃₈O₄ Mono mass: 402.277009704
PHUB000582 Score: 0.797	Cardanol [(15:1)-] precursor	C₂₁H₃₄O Mono mass: 302.260965715
PHUB002926 Score: 0.742	5-(2-oxo,10Z,13Z-nonadecadienyl)-resorcinol precursor	C₂₅H₃₈O₃ Mono mass: 386.282095084
PHUB002931 Score: 0.742	5-(2-Oxo,12Z,15Z-heneicosenyl)-resorcinol precursor	C₂₇H₄₂O₃ Mono mass: 414.313395212
PHUB002939 Score: 0.742	5-(2-Oxo,14Z,17Z-tricosadienyl)-resorcinol precursor	C₂₉H₄₆O₃ Mono mass: 442.344695341
PHUB002945 Score: 0.742	5-(2-Oxo,16Z,19Z-pentacosadienyl)-resorcinol precursor	C₃₁H₅₀O₃ Mono mass: 470.37599547
PHUB002933 Score: 0.72	5-n-(2'-oxo-14'-(Z)-heneicosenyl)resorcinol precursor	C₂₇H₄₄O₃ Mono mass: 416.329045277
PHUB002915 Score: 0.704	Methyl-5-heptadecylresorcinol metabolite	C₂₄H₄₂O₂ Mono mass: 362.318480578