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alkylresorcinol_19_2(10,13).mol
  Mrv2104 01152321023D

29 29  0  0  0  0            999 V2000
    5.5415   -1.3687   -0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7854    0.4819    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0117    0.8374   -0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6034    1.2056    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8298    1.5610    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4895    0.2979   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3371    2.0852   -0.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6662   -0.4050   -0.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713   -1.9162   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8331   -1.7170   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3371   -2.0852   -0.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9503   -1.1327    0.0939 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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  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 — 29 of approximately 29 results

PHUB002925 Score: 1.0	5-(Nona-10Z,13Z-decadienyl)-resorcinol precursor	C₂₅H₃₈O₄ Mono mass: 402.277009704
PHUB001380 Score: 0.835	5-(3,5-dihydroxyphenyl)pentanoic acid 74356-41-5 metabolite	C₁₂H₁₆O₄ Mono mass: 224.104858995
PHUB002921 Score: 0.835	5-(2-Carboxynonadecyl)-resorcinol metabolite	C₂₅H₄₂O₄ Mono mass: 406.308309832
PHUB001994 Score: 0.824	5-(3',5'-dihydroxyphenyl)valeric acid 74356-41-5 metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB002930 Score: 0.822	5-(4-Hydroxy,12Z,15Z-heneicosenyl)-resorcinol precursor	C₂₇H₄₄O₃ Mono mass: 416.329045277
PHUB002938 Score: 0.822	5-(4-Hydroxy,14Z,17Z-tricosadienyl)-resorcinol precursor	C₂₉H₄₈O₃ Mono mass: 444.360345406
PHUB002592 Score: 0.812	5-Pentadecadienylresorcinol 79473-25-9 precursor	C₂₁H₃₂O₂ Mono mass: 316.24023027
PHUB002929 Score: 0.812	5-(Henei-12Z,15Z-cosadienyl)-resorcinol precursor	C₂₇H₄₄O₂ Mono mass: 400.334130657
PHUB002937 Score: 0.812	5-(Tri-14Z,17Z-cosadienyl)-resorcinol precursor	C₂₉H₄₈O₂ Mono mass: 428.365430786
PHUB002944 Score: 0.812	5-(Penta-16Z,19Z-cosadienyl)-resorcinol precursor	C₃₁H₅₂O₂ Mono mass: 456.396730914
PHUB002926 Score: 0.806	5-(2-oxo,10Z,13Z-nonadecadienyl)-resorcinol precursor	C₂₅H₃₈O₃ Mono mass: 386.282095084
PHUB002931 Score: 0.806	5-(2-Oxo,12Z,15Z-heneicosenyl)-resorcinol precursor	C₂₇H₄₂O₃ Mono mass: 414.313395212
PHUB002939 Score: 0.806	5-(2-Oxo,14Z,17Z-tricosadienyl)-resorcinol precursor	C₂₉H₄₆O₃ Mono mass: 442.344695341
PHUB002945 Score: 0.806	5-(2-Oxo,16Z,19Z-pentacosadienyl)-resorcinol precursor	C₃₁H₅₀O₃ Mono mass: 470.37599547
PHUB001836 Score: 0.798	3’,4’,5’-Trihydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB001063 Score: 0.788	5-(3'-hydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB002933 Score: 0.785	5-n-(2'-oxo-14'-(Z)-heneicosenyl)resorcinol precursor	C₂₇H₄₄O₃ Mono mass: 416.329045277
PHUB000553 Score: 0.776	5-Heptadecenylresorcinol precursor	C₂₃H₃₈O₂ Mono mass: 346.287180464
PHUB000555 Score: 0.776	5-Nonadecenylresorcinol precursor	C₂₅H₄₂O₂ Mono mass: 374.318480592
PHUB000559 Score: 0.776	5-Pentacosenylresorcinol precursor	C₃₁H₅₄O₂ Mono mass: 458.412380979
PHUB000563 Score: 0.776	5-Tricosenylresorcinol precursor	C₂₉H₅₀O₂ Mono mass: 430.38108085
PHUB001688 Score: 0.776	5-Heneicosenylresorcinol precursor	C₂₇H₄₆O₂ Mono mass: 402.349780721
PHUB002547 Score: 0.776	5-(12-Heptadecenyl)-resorcinol 103462-06-2 precursor	C₂₃H₃₈O₂ Mono mass: 346.287180464
PHUB002591 Score: 0.776	5-Pentadecenylresorcinol 22910-86-7 precursor	C₂₁H₃₄O₂ Mono mass: 318.255880335
PHUB002924 Score: 0.766	5-(2-Hydroxynonadecenyl)-resorcinol precursor metabolite	C₂₅H₄₂O₃ Mono mass: 390.313395212
PHUB001061 Score: 0.764	5-(3',4'-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB000582 Score: 0.741	Cardanol [(15:1)-] precursor	C₂₁H₃₄O Mono mass: 302.260965715
PHUB001835 Score: 0.701	4'-Hydroxyphenylvaleric acid metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311
PHUB001749 Score: 0.701	5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931