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Cinnamoyl glucose
  Mrv2104 06072104242D

22 23  0  0  1  0            999 V2000
    6.5277   -5.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8132   -5.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0987   -5.4188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3843   -5.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698   -5.4187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9553   -5.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6698   -6.2438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9553   -6.6563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2408   -6.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2408   -5.4187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5264   -6.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8119   -6.2437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974   -6.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170   -6.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315   -6.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3315   -7.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6170   -7.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0974   -7.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3843   -6.6563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3842   -7.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0988   -6.2438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8132   -6.6562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  6  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 — 12 of approximately 12 results

PHUB000587 Score: 1.0	Cinnamoyl glucose precursor	C₁₅H₁₈O₇ Mono mass: 310.10525292
PHUB000610 Score: 0.824	Feruloyl glucose precursor	C₁₆H₂₀O₉ Mono mass: 356.110732224
PHUB000593 Score: 0.793	Coumaroyl glucose (p-) precursor	C₁₅H₁₈O₈ Mono mass: 326.10016754
PHUB000646 Score: 0.752	Verbascoside 61276-17-3 precursor	C₂₉H₃₆O₁₅ Mono mass: 624.205420459
PHUB000578 Score: 0.75	Caffeoyl glucose precursor	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB000507 Score: 0.745	1,2,2'-Triferuloylgentiobiose precursor	C₄₂H₄₆O₂₀ Mono mass: 870.258243881
PHUB000509 Score: 0.745	1,2-Diferuloylgentiobiose precursor	C₃₂H₃₈O₁₇ Mono mass: 694.210899764
PHUB000508 Score: 0.727	1,2,2'-Trisinapoylgentiobiose precursor	C₄₅H₅₂O₂₃ Mono mass: 960.289937934
PHUB000510 Score: 0.727	1,2'-Disinapoyl-2-feruloylgentiobiose precursor	C₄₄H₅₀O₂₂ Mono mass: 930.27937325
PHUB000511 Score: 0.727	1,2-Disinapoylgentiobiose precursor	C₃₄H₄₂O₁₉ Mono mass: 754.232029132
PHUB000515 Score: 0.727	1-Sinapoyl-2,2'-diferuloylgentiobiose precursor	C₄₃H₄₈O₂₁ Mono mass: 900.268808566
PHUB000516 Score: 0.727	1-Sinapoyl-2-feruloylgentiobiose precursor	C₃₃H₄₀O₁₈ Mono mass: 724.221464448