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Mrv2104 03102314032D

11 10  0  0  0  0            999 V2000
    2.9317    1.8561    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6389    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3605    1.8312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3749    2.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0676    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2101    1.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5028    1.8811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1957    0.6313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9461    2.6810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7893    1.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4964    1.3814    0.0000 C   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
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  1  9  1  6  0  0  0
  5 10  2  0  0  0  0
 10 11  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 — 4 of approximately 4 results

PHUB000772 Score: 1.0	Isoalliin precursor	C₆H₁₁NO₃S Mono mass: 177.045964392
PHUB002567 Score: 1.0	S1-propenyl cysteine sulfoxide precursor	C₆H₁₁NO₃S Mono mass: 177.045964392
PHUB002565 Score: 0.761	S-Methyl cysteine sulphoxide 23315-24-4 precursor	C₄H₉NO₃S Mono mass: 151.030314328
PHUB000754 Score: 0.714	Alliin 556-27-4 precursor	C₆H₁₁NO₃S Mono mass: 177.045964392