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Mrv2104 06072104292D

26 27  0  0  0  0            999 V2000
10001.807510000.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.091810000.9049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.377910000.4943    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.663410000.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2326 9998.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9470 9998.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8059 9999.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.3779 9999.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6634 9999.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.091810001.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.807510002.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.236710002.9694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.384910003.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.663810002.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.233910000.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.519510000.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5195 9999.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2339 9999.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9485 9999.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.948510000.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.950610001.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.236110002.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.521410001.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.521410000.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.235910000.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.950610000.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  6  0  0  0
  3  4  1  0  0  0  0
  3  8  1  6  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
  1 24  1  0  0  0  0
 22 12  1  0  0  0  0
 21 14  1  0  0  0  0
  4 20  1  0  0  0  0
 18  5  1  0  0  0  0
 17  7  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 — 15 of approximately 15 results

PHUB001385 Score: 1.0	Secoisolariciresinol precursor	C₂₀H₂₆O₆ Mono mass: 362.172938557
PHUB001719 Score: 0.89	Anhydro-secoisolariciresinol precursor	C₂₀H₂₄O₅ Mono mass: 344.162373873
PHUB001697 Score: 0.828	7-Hydroxysecoisolariciresinol precursor	C₂₀H₂₆O₇ Mono mass: 378.167853177
PHUB001386 Score: 0.817	Enterodiol metabolite	C₁₈H₂₂O₄ Mono mass: 302.151809188
PHUB002275 Score: 0.802	octahydrocurcumin metabolite	C₂₁H₂₈O₆ Mono mass: 376.188588622
PHUB003022 Score: 0.742	Quebecol 1360605-46-4 precursor	C₂₄H₂₆O₇ Mono mass: 426.167853177
PHUB001722 Score: 0.739	Cyclolariciresinol precursor	C₂₀H₂₄O₆ Mono mass: 360.157288493
PHUB001727 Score: 0.739	Isolariciresinol precursor	C₂₀H₂₄O₆ Mono mass: 360.157288493
PHUB000627 Score: 0.713	Paradol ([6]-) precursor	C₁₇H₂₆O₃ Mono mass: 278.188194697
PHUB001388 Score: 0.711	(+)-Matairesinol precursor	C₂₀H₂₂O₆ Mono mass: 358.141638428
PHUB001168 Score: 0.71	Dihydroferulic acid 1135-23-5 metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB002274 Score: 0.709	hexahydrocurcumin metabolite	C₂₁H₂₆O₆ Mono mass: 374.172938557
PHUB001390 Score: 0.707	(+)-Lariciresinol precursor	C₂₀H₂₄O₆ Mono mass: 360.157288493
PHUB001720 Score: 0.704	Arctigenin precursor	C₂₁H₂₄O₆ Mono mass: 372.157288493
PHUB001723 Score: 0.704	Dimethylmatairesinol precursor	C₂₂H₂₆O₆ Mono mass: 386.172938557
PHUB002451 Score: 0.702	3',4'-Dimethoxyphenylpropanoic acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931