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Mrv2104 03012315562D

30 32  0  0  0  0            999 V2000
   -0.7267   -1.6786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022   -1.6786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7267   -4.1535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -3.3285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022   -3.3285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8701   -2.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1508    0.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7579   -0.8279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8701    2.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7267   -3.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411   -2.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122   -2.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411   -2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0122   -2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1555   -1.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022   -0.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4443    2.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4412    2.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    0.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4447   -0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403   -0.4209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251    1.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0304    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6193    2.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    2.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540    1.6730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475    3.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346    4.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4692   -0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 15  1  0  0  0  0
  7 22  1  0  0  0  0
  7 27  1  0  0  0  0
  8 21  1  0  0  0  0
  8 30  1  0  0  0  0
  9 27  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 28  1  0  0  0  0
 18 23  2  0  0  0  0
 18 27  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  2  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 28 29  2  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 — 8 of approximately 8 results

PHUB002665 Score: 1.0	Scopoletin 7-glucoside 208333-72-6 precursor	C₂₁H₂₆O₉ Mono mass: 422.157682417
PHUB000247 Score: 0.822	Scopolin precursor	C₁₆H₁₈O₉ Mono mass: 354.09508216
PHUB000240 Score: 0.788	Esculin precursor	C₁₅H₁₆O₉ Mono mass: 340.079432095
PHUB000228 Score: 0.768	Glycitin precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB000216 Score: 0.749	6''-O-Acetylglycitin precursor	C₂₄H₂₄O₁₁ Mono mass: 488.131861593
PHUB000219 Score: 0.741	6''-O-Malonylglycitin precursor	C₂₅H₂₄O₁₃ Mono mass: 532.121690833
PHUB000302 Score: 0.727	Ellagic acid glucoside precursor	C₂₀H₁₆O₁₃ Mono mass: 464.059090575
PHUB002981 Score: 0.708	Homoplantaginin precursor	C₂₃H₂₄O₁₀ Mono mass: 460.136946973