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Mrv2104 06072104182D

11 11  0  0  0  0            999 V2000
10001.127210000.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.842010000.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.556810000.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2737 9999.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4231 9999.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.416110000.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.701610000.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.987110000.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9870 9999.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7015 9999.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.4161 9999.5878    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
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  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  6  1  0  0  0  0
  1  6  1  0  0  0  0
  9  4  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 — 19 of approximately 19 results

PHUB000050 Score: 1.0	Isoestragole precursor	C₁₀H₁₂O Mono mass: 148.088815006
PHUB000566 Score: 1.0	Anethole precursor	C₁₀H₁₂O Mono mass: 148.088815006
PHUB001704 Score: 0.893	p-Methoxycinnamaldehyde precursor	C₁₀H₁₀O₂ Mono mass: 162.068079562
PHUB000523 Score: 0.82	2-Methoxy-5-prop-1-enylphenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000621 Score: 0.806	Isoeugenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000548 Score: 0.8	4-Vinylphenol precursor	C₈H₈O Mono mass: 120.057514878
PHUB000233 Score: 0.786	4-Hydroxycoumarin precursor	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB001516 Score: 0.769	Mono-demethylated pterostilbene metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB001523 Score: 0.769	Pinostilbene metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB000323 Score: 0.758	Pterostilbene precursor	C₁₆H₁₆O₃ Mono mass: 256.109944375
PHUB000327 Score: 0.758	Rhapontigenin 500-65-2 precursor metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB000547 Score: 0.754	4-Vinylguaiacol 7786-61-0 precursor	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB000328 Score: 0.746	Isorhapontigenin precursor metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB002527 Score: 0.746	Feniculin 78259-41-3 precursor	C₁₄H₁₈O Mono mass: 202.1357652
PHUB001501 Score: 0.746	3,4'-dihydroxy-trans-stilbene 62574-04-3 metabolite	C₁₄H₁₂O₂ Mono mass: 212.083729626
PHUB000607 Score: 0.735	Ferulaldehyde precursor	C₁₀H₁₀O₃ Mono mass: 178.062994182
PHUB001519 Score: 0.735	Mono-hydroxylated pterostilbene metabolite	C₁₆H₁₆O₄ Mono mass: 272.104858995
PHUB002710 Score: 0.727	Cassiastearoptene 60125-24-8 / 1504-74-1 precursor	C₁₀H₁₀O₂ Mono mass: 162.068079562
PHUB000549 Score: 0.725	4-Vinylsyringol precursor	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB000324 Score: 0.71	Resveratrol (trans-) precursor metabolite	C₁₄H₁₂O₃ Mono mass: 228.078644246
PHUB000335 Score: 0.71	Resveratrol (cis-) precursor metabolite	C₁₄H₁₂O₃ Mono mass: 228.078644246
PHUB002549 Score: 0.71	trans-Resveratrol 501-36-0 precursor	C₁₄H₁₂O₃ Mono mass: 228.078644246