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Mrv2104 06072104242D

25 26  0  0  1  0            999 V2000
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -9.0750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -8.6625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  1  0  0  0
 21 22  1  0  0  0  0
 16 23  1  6  0  0  0
 15 24  1  1  0  0  0
  4 25  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 33 results

PHUB000610 Score: 1.0	Feruloyl glucose precursor	C₁₆H₂₀O₉ Mono mass: 356.110732224
PHUB000507 Score: 0.904	1,2,2'-Triferuloylgentiobiose precursor	C₄₂H₄₆O₂₀ Mono mass: 870.258243881
PHUB000509 Score: 0.904	1,2-Diferuloylgentiobiose precursor	C₃₂H₃₈O₁₇ Mono mass: 694.210899764
PHUB000508 Score: 0.882	1,2,2'-Trisinapoylgentiobiose precursor	C₄₅H₅₂O₂₃ Mono mass: 960.289937934
PHUB000510 Score: 0.882	1,2'-Disinapoyl-2-feruloylgentiobiose precursor	C₄₄H₅₀O₂₂ Mono mass: 930.27937325
PHUB000511 Score: 0.882	1,2-Disinapoylgentiobiose precursor	C₃₄H₄₂O₁₉ Mono mass: 754.232029132
PHUB000515 Score: 0.882	1-Sinapoyl-2,2'-diferuloylgentiobiose precursor	C₄₃H₄₈O₂₁ Mono mass: 900.268808566
PHUB000516 Score: 0.882	1-Sinapoyl-2-feruloylgentiobiose precursor	C₃₃H₄₀O₁₈ Mono mass: 724.221464448
PHUB000646 Score: 0.831	Verbascoside 61276-17-3 precursor	C₂₉H₃₆O₁₅ Mono mass: 624.205420459
PHUB000587 Score: 0.824	Cinnamoyl glucose precursor	C₁₅H₁₈O₇ Mono mass: 310.10525292
PHUB000578 Score: 0.821	Caffeoyl glucose precursor	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002476 Score: 0.798	5-Feruloylquinic acid-4'-glucuronide metabolite	C₂₃H₂₈O₁₅ Mono mass: 544.142820202
PHUB001430 Score: 0.774	Sinapic acid O-glucuronide metabolite	C₁₇H₂₀O₁₁ Mono mass: 400.100561464
PHUB000593 Score: 0.769	Coumaroyl glucose (p-) precursor	C₁₅H₁₈O₈ Mono mass: 326.10016754
PHUB000526 Score: 0.765	3,4-Diferuloylquinic acid precursor	C₂₇H₂₈O₁₂ Mono mass: 544.158076342
PHUB000529 Score: 0.753	3,5-Diferuloylquinic acid precursor	C₂₇H₂₈O₁₂ Mono mass: 544.158076342
PHUB000531 Score: 0.753	3-Feruloylquinic acid 87099-72-7 precursor metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB000550 Score: 0.753	5-Feruloylquinic acid precursor metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB000541 Score: 0.744	4-Feruloylquinic acid precursor metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB000535 Score: 0.735	3-Sinapoylquinic acid precursor	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB000562 Score: 0.735	5-Sinapoylquinic acid precursor	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB000611 Score: 0.731	Feruloyl tartaric acid precursor	C₁₄H₁₄O₉ Mono mass: 326.063782031
PHUB000620 Score: 0.73	Isochlorogenic acid b precursor	C₂₆H₂₆O₁₁ Mono mass: 514.147511657
PHUB000546 Score: 0.726	4-Sinapoylquinic acid precursor	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB002471 Score: 0.726	4-Caffeoylquinic-1,5-lactone metabolite	C₁₆H₁₆O₈ Mono mass: 336.084517475
PHUB002512 Score: 0.726	4-O-Caffeoyl-1,5-quinide precursor	C₁₆H₁₆O₈ Mono mass: 336.084517475
PHUB000525 Score: 0.716	3,4-Dicaffeoylquinic acid precursor	C₂₅H₂₄O₁₂ Mono mass: 516.126776213
PHUB000536 Score: 0.716	4,5-Dicaffeoylquinic acid precursor	C₂₅H₂₄O₁₂ Mono mass: 516.126776213
PHUB002424 Score: 0.715	Feruloylquinic acid precursor	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB000609 Score: 0.713	Ferulic acid-4'-O-glucoside precursor	C₁₆H₂₀O₉ Mono mass: 356.110732224
PHUB000575 Score: 0.711	Caffeic acid 4-O-glucoside precursor	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002511 Score: 0.709	3-O-Caffeoyl-1,5-quinide precursor	C₁₆H₁₆O₈ Mono mass: 336.084517475
PHUB000519 Score: 0.709	24-Methylcholestanol ferulate precursor	C₃₈H₅₈O₄ Mono mass: 578.433510348