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Mrv2104 06072104212D

28 30  0  0  0  0            999 V2000
 9998.233410000.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.092110000.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.805710000.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.664410002.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6623 9998.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8044 9998.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.0900 9997.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.804410001.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.375510000.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3755 9999.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.804410000.8252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.089910000.4127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.0899 9999.5876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.8044 9999.1752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.5189 9999.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.518910000.4127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.662110000.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.947710000.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9477 9999.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6621 9999.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3766 9999.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.376610000.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.949510001.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.235110002.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.520610001.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.520510000.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.235010000.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.949610000.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  1  1  6  0  0  0
 14  6  1  6  0  0  0
 13 10  1  1  0  0  0
 12  9  1  6  0  0  0
 11  8  1  1  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 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  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 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
  3 26  1  0  0  0  0
 23  4  1  0  0  0  0
  1 18  1  0  0  0  0
 22  2  1  0  0  0  0
 20  5  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 — 30 of approximately 53 results

PHUB000325 Score: 1.0	Piceid (trans-) precursor metabolite	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB000326 Score: 1.0	Resveratrol 5-O-glucoside precursor	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB000334 Score: 1.0	Piceid (cis-) precursor metabolite	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB001542 Score: 1.0	Deoxyrhapontin precursor	C₂₁H₂₄O₈ Mono mass: 404.147117733
PHUB001493 Score: 0.993	5-methoxyresveratrol-3-O-β-glucoside metabolite	C₂₁H₂₄O₈ Mono mass: 404.147117733
PHUB000321 Score: 0.986	Piceatannol 3-O-glucoside precursor	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB001543 Score: 0.972	rhapontin precursor	C₂₁H₂₄O₉ Mono mass: 420.142032353
PHUB001549 Score: 0.972	Mulberroside A precursor	C₂₆H₃₂O₁₄ Mono mass: 568.17920571
PHUB001551 Score: 0.972	Oxyresveratrol 3′-O-β-D-glucoside metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB001573 Score: 0.972	Rhaponticin precursor	C₂₁H₂₄O₉ Mono mass: 420.142032353
PHUB001550 Score: 0.958	Oxyresveratrol-4-O-β-D-glucoside metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB000339 Score: 0.957	Resveratrol 4'-glucoside precursor	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB001506 Score: 0.957	Resveratroloside metabolite	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB002773 Score: 0.871	Linusitamarin 152574-10-2 precursor	C₁₇H₂₂O₉ Mono mass: 370.126382288
PHUB001411 Score: 0.853	trans-Resveratrol 3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001481 Score: 0.853	resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001482 Score: 0.853	trans-resveratrol-5-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001504 Score: 0.853	cis-Resveratrol-3-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001530 Score: 0.853	trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide metabolite	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB001536 Score: 0.853	trans-deoxyrhapontigenin-3-O-β-d-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001531 Score: 0.848	trans-Resveratrol-2-C-β-D-/4-O-β-D-diglucuronide metabolite	C₂₆H₂₈O₁₅ Mono mass: 580.142820202
PHUB001537 Score: 0.848	trans-deoxyrhapontin-5-O-β-d-glucuronide metabolite	C₂₇H₃₂O₁₄ Mono mass: 580.17920571
PHUB001517 Score: 0.84	Mono-demethylated pterostilbene glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001532 Score: 0.839	dihydro-piceid metabolite	C₂₀H₂₄O₈ Mono mass: 392.147117733
PHUB001514 Score: 0.835	Pterostilbene-glucuronide metabolite	C₂₂H₂₄O₉ Mono mass: 432.142032353
PHUB001483 Score: 0.822	trans-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB001505 Score: 0.822	cis-Resveratrol-4'-O-glucuronide metabolite	C₂₀H₂₀O₉ Mono mass: 404.110732224
PHUB000591 Score: 0.816	Coumaric acid-4'-O-glucoside precursor	C₁₅H₁₈O₈ Mono mass: 326.10016754
PHUB002777 Score: 0.812	Linocinnamarin 554-87-0 precursor	C₁₆H₂₀O₈ Mono mass: 340.115817604
PHUB001499 Score: 0.806	resveratrol-glucoside-phosphate metabolite	C₂₀H₂₃O₁₁P Mono mass: 470.097798559
PHUB001539 Score: 0.799	rhapontin-3'-glucuronide metabolite	C₂₇H₃₂O₁₅ Mono mass: 596.17412033
PHUB000609 Score: 0.799	Ferulic acid-4'-O-glucoside precursor	C₁₆H₂₀O₉ Mono mass: 356.110732224