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casuarinin.cdx
  Mrv2104 06072104252D

67 74  0  0  0  0            999 V2000
    5.2586   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 63 65  1  0  0  0  0
 62 66  1  0  0  0  0
 61 67  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
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    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
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    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
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  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
M  END

Results 1 — 6 of approximately 6 results

PHUB000733 Score: 1.0	Casuarinin precursor	C₄₁H₂₈O₂₆ Mono mass: 936.086881022
PHUB000730 Score: 0.995	Castalagin precursor	C₄₁H₂₆O₂₆ Mono mass: 934.071230957
PHUB000731 Score: 0.995	Castalin precursor	C₂₇H₂₀O₁₈ Mono mass: 632.064963804
PHUB000749 Score: 0.995	Vescalagin precursor	C₄₁H₂₆O₂₆ Mono mass: 934.071230957
PHUB000750 Score: 0.995	Vescalin precursor	C₂₇H₂₀O₁₈ Mono mass: 632.064963804
PHUB000739 Score: 0.734	Pedunculagin precursor	C₃₅H₂₆O₂₁ Mono mass: 782.096657857
PHUB000289 Score: 0.73	Theasinensin A precursor	C₄₄H₃₄O₂₂ Mono mass: 914.154172735
PHUB001975 Score: 0.717	Tellimagrandin I 79786-08-6 precursor	C₃₄H₂₆O₂₂ Mono mass: 786.091572477