Chemical Structure Search

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Mrv2104 08242109082D

25 28  0  0  1  0            999 V2000
    3.0405    0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    1.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297    0.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0898    1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0643    0.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -0.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0039   -0.9834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8286   -1.0014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3961   -0.3669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8647    0.3033    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4695    0.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2802    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6432    0.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2413   -0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0405   -0.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597   -1.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2128    0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2326    1.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3451   -0.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0344   -1.8337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397    1.5898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5136    1.8337    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
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13  7  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 10 22  1  1  0  0  0
 11 23  1  1  0  0  0
  6 24  1  0  0  0  0
  5 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 — 6 of approximately 6 results

PHUB002038 Score: 1.0	Epiisorosmanol precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937
PHUB000008 Score: 0.918	Carnosol precursor	C₂₀H₂₆O₄ Mono mass: 330.183109317
PHUB002040 Score: 0.918	16-Hydroxycarnosol precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937
PHUB002024 Score: 0.884	Epirosmanol precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937
PHUB002025 Score: 0.794	Rosmanol precursor	C₂₀H₂₆O₄ Mono mass: 330.183109317
PHUB002022 Score: 0.703	Methyl carnosate precursor	C₂₁H₃₀O₄ Mono mass: 346.214409446