Chemical Structure Search

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65126
  Mrv2104 08242109112D

24 26  0  0  1  0            999 V2000
    2.8250    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5874   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1749   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0626   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1749    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0626    1.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877    1.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3002    0.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8877   -0.0020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3002   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5378   -0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8250    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1541    1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4751   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877   -1.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1688   -0.8706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1604   -1.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5874   -1.4310    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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  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  6  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  6 23  1  0  0  0  0
  5 24  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 — 7 of approximately 7 results

PHUB002020 Score: 1.0	Carnosic Acid 3650-09-7 precursor	C₂₀H₂₈O₄ Mono mass: 332.198759382
PHUB002022 Score: 0.939	Methyl carnosate precursor	C₂₁H₃₀O₄ Mono mass: 346.214409446
PHUB002023 Score: 0.939	Methoxy carnosol precursor	C₂₁H₃₀O₄ Mono mass: 346.214409446
PHUB002025 Score: 0.79	Rosmanol precursor	C₂₀H₂₆O₄ Mono mass: 330.183109317
PHUB000008 Score: 0.728	Carnosol precursor	C₂₀H₂₆O₄ Mono mass: 330.183109317
PHUB002040 Score: 0.728	16-Hydroxycarnosol precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937
PHUB002024 Score: 0.706	Epirosmanol precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937