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Mrv2104 06072104302D

18 19  0  0  0  0            999 V2000
    4.5734   -3.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5734   -3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -4.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445   -3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445   -3.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -2.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2878   -4.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -1.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445   -1.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445   -0.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590   -0.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8590    0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445    1.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300   -4.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7155   -3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1445    1.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  1  6  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 11 15  2  0  0  0  0
 12 10  2  0  0  0  0
 10 13  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 15  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 — 24 of approximately 24 results

PHUB001516 Score: 1.0	Mono-demethylated pterostilbene metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB001523 Score: 1.0	Pinostilbene metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB000323 Score: 0.985	Pterostilbene precursor	C₁₆H₁₆O₃ Mono mass: 256.109944375
PHUB001519 Score: 0.956	Mono-hydroxylated pterostilbene metabolite	C₁₆H₁₆O₄ Mono mass: 272.104858995
PHUB000549 Score: 0.942	4-Vinylsyringol precursor	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB000328 Score: 0.913	Isorhapontigenin precursor metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB000327 Score: 0.899	Rhapontigenin 500-65-2 precursor metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB000324 Score: 0.862	Resveratrol (trans-) precursor metabolite	C₁₄H₁₂O₃ Mono mass: 228.078644246
PHUB000335 Score: 0.862	Resveratrol (cis-) precursor metabolite	C₁₄H₁₂O₃ Mono mass: 228.078644246
PHUB002549 Score: 0.862	trans-Resveratrol 501-36-0 precursor	C₁₄H₁₂O₃ Mono mass: 228.078644246
PHUB000621 Score: 0.841	Isoeugenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000320 Score: 0.836	Piceatannol 10083-24-6 precursor metabolite	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB000337 Score: 0.836	Piceatannol (cis-) precursor	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB000637 Score: 0.829	Sinapaldehyde 4206-58-0 precursor	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB000523 Score: 0.826	2-Methoxy-5-prop-1-enylphenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000322 Score: 0.815	Pinosylvin precursor	C₁₄H₁₂O₂ Mono mass: 212.083729626
PHUB001501 Score: 0.815	3,4'-dihydroxy-trans-stilbene 62574-04-3 metabolite	C₁₄H₁₂O₂ Mono mass: 212.083729626
PHUB000333 Score: 0.803	Oxyresveratrol precursor metabolite	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB000336 Score: 0.803	Oxyresveratrol (cis-) precursor	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB000607 Score: 0.773	Ferulaldehyde precursor	C₁₀H₁₀O₃ Mono mass: 178.062994182
PHUB000050 Score: 0.769	Isoestragole precursor	C₁₀H₁₂O Mono mass: 148.088815006
PHUB000566 Score: 0.769	Anethole precursor	C₁₀H₁₂O Mono mass: 148.088815006
PHUB000547 Score: 0.768	4-Vinylguaiacol 7786-61-0 precursor	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB000638 Score: 0.741	Sinapic acid precursor metabolite	C₁₁H₁₂O₅ Mono mass: 224.068473486
PHUB001518 Score: 0.707	Mono-demethylated pterostilbene sulfate metabolite	C₁₅H₁₄O₆S Mono mass: 322.051109345
PHUB001704 Score: 0.704	p-Methoxycinnamaldehyde precursor	C₁₀H₁₀O₂ Mono mass: 162.068079562
PHUB000608 Score: 0.702	Ferulic acid 537-98-4 precursor metabolite	C₁₀H₁₀O₄ Mono mass: 194.057908802