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Mrv2104 06072104242D

13 13  0  0  0  0            999 V2000
10000.694810000.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.409910000.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.127110000.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.842310000.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.828110000.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.107610000.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8281 9999.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.975610000.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.261110000.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.546610000.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5465 9999.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2610 9999.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9756 9999.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11  7  1  0  0  0  0
 10  5  1  0  0  0  0
  1  8  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 — 23 of approximately 23 results

PHUB000607 Score: 1.0	Ferulaldehyde precursor	C₁₀H₁₀O₃ Mono mass: 178.062994182
PHUB000637 Score: 0.919	Sinapaldehyde 4206-58-0 precursor	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB000621 Score: 0.912	Isoeugenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000523 Score: 0.897	2-Methoxy-5-prop-1-enylphenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000608 Score: 0.872	Ferulic acid 537-98-4 precursor metabolite	C₁₀H₁₀O₄ Mono mass: 194.057908802
PHUB000622 Score: 0.859	Isoferulic acid 537-73-5 metabolite	C₁₀H₁₀O₄ Mono mass: 194.057908802
PHUB000328 Score: 0.849	Isorhapontigenin precursor metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB000547 Score: 0.838	4-Vinylguaiacol 7786-61-0 precursor	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB000327 Score: 0.836	Rhapontigenin 500-65-2 precursor metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB000549 Score: 0.827	4-Vinylsyringol precursor	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB001704 Score: 0.824	p-Methoxycinnamaldehyde precursor	C₁₀H₁₀O₂ Mono mass: 162.068079562
PHUB000638 Score: 0.819	Sinapic acid precursor metabolite	C₁₁H₁₂O₅ Mono mass: 224.068473486
PHUB001519 Score: 0.789	Mono-hydroxylated pterostilbene metabolite	C₁₆H₁₆O₄ Mono mass: 272.104858995
PHUB001516 Score: 0.773	Mono-demethylated pterostilbene metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB001523 Score: 0.773	Pinostilbene metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB000323 Score: 0.763	Pterostilbene precursor	C₁₆H₁₆O₃ Mono mass: 256.109944375
PHUB000574 Score: 0.756	Caffeic acid 331-39-5 precursor metabolite	C₉H₈O₄ Mono mass: 180.042258738
PHUB000050 Score: 0.735	Isoestragole precursor	C₁₀H₁₂O Mono mass: 148.088815006
PHUB000566 Score: 0.735	Anethole precursor	C₁₀H₁₂O Mono mass: 148.088815006
PHUB001501 Score: 0.729	3,4'-dihydroxy-trans-stilbene metabolite	C₁₄H₁₂O₂ Mono mass: 212.083729626
PHUB000320 Score: 0.726	Piceatannol 10083-24-6 precursor metabolite	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB000337 Score: 0.726	Piceatannol (cis-) precursor	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB001408 Score: 0.723	Curcumin 458-37-7 precursor metabolite	C₂₁H₂₀O₆ Mono mass: 368.125988364
PHUB001674 Score: 0.723	Demethoxycurcumin precursor	C₂₀H₁₈O₅ Mono mass: 338.11542368
PHUB002603 Score: 0.706	3,4-Dihydroxystyrene 6053-02-7 metabolite	C₈H₈O₂ Mono mass: 136.052429498