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Mrv2104 01152322073D

28 28  0  0  1  0            999 V2000
    5.7935   -1.4532   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246   -1.6542   -0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4948   -1.1067   -0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7260   -1.3077   -0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962   -0.7602   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273   -0.9612   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8975   -0.4137    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287   -0.6147   -0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5988   -0.0672    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1699   -0.2682   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6997    0.2792    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4686    0.0782    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9984    0.6257    0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7672    0.4247    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970    0.9722    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0659    0.7711    0.2214 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5957    1.3187    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8736    1.6606    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5334    0.3974    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7597    0.7529   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3514    1.1211    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5778    1.4765    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2376    0.2134   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0851    2.0007   -0.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4143   -0.4895   -0.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3233   -2.0007   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0851   -1.8015   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3087    0.0345    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 16 28  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 — 16 of approximately 16 results

PHUB002924 Score: 1.0	5-(2-Hydroxynonadecenyl)-resorcinol precursor metabolite	C₂₅H₄₂O₃ Mono mass: 390.313395212
PHUB002930 Score: 0.882	5-(4-Hydroxy,12Z,15Z-heneicosenyl)-resorcinol precursor	C₂₇H₄₄O₃ Mono mass: 416.329045277
PHUB002938 Score: 0.882	5-(4-Hydroxy,14Z,17Z-tricosadienyl)-resorcinol precursor	C₂₉H₄₈O₃ Mono mass: 444.360345406
PHUB000553 Score: 0.815	5-Heptadecenylresorcinol precursor	C₂₃H₃₈O₂ Mono mass: 346.287180464
PHUB000555 Score: 0.815	5-Nonadecenylresorcinol precursor	C₂₅H₄₂O₂ Mono mass: 374.318480592
PHUB000559 Score: 0.815	5-Pentacosenylresorcinol precursor	C₃₁H₅₄O₂ Mono mass: 458.412380979
PHUB000563 Score: 0.815	5-Tricosenylresorcinol precursor	C₂₉H₅₀O₂ Mono mass: 430.38108085
PHUB001688 Score: 0.815	5-Heneicosenylresorcinol precursor	C₂₇H₄₆O₂ Mono mass: 402.349780721
PHUB002547 Score: 0.815	5-(12-Heptadecenyl)-resorcinol 103462-06-2 precursor	C₂₃H₃₈O₂ Mono mass: 346.287180464
PHUB002591 Score: 0.815	5-Pentadecenylresorcinol 22910-86-7 precursor	C₂₁H₃₄O₂ Mono mass: 318.255880335
PHUB002592 Score: 0.786	5-Pentadecadienylresorcinol 79473-25-9 precursor	C₂₁H₃₂O₂ Mono mass: 316.24023027
PHUB002929 Score: 0.786	5-(Henei-12Z,15Z-cosadienyl)-resorcinol precursor	C₂₇H₄₄O₂ Mono mass: 400.334130657
PHUB002937 Score: 0.786	5-(Tri-14Z,17Z-cosadienyl)-resorcinol precursor	C₂₉H₄₈O₂ Mono mass: 428.365430786
PHUB002944 Score: 0.786	5-(Penta-16Z,19Z-cosadienyl)-resorcinol precursor	C₃₁H₅₂O₂ Mono mass: 456.396730914
PHUB000582 Score: 0.778	Cardanol [(15:1)-] precursor	C₂₁H₃₄O Mono mass: 302.260965715
PHUB002925 Score: 0.766	5-(Nona-10Z,13Z-decadienyl)-resorcinol precursor	C₂₅H₃₈O₄ Mono mass: 402.277009704