Chemical Structure Search

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carnosol
  Mrv2104 10142214312D

24 27  0  0  1  0            999 V2000
    6.6450   -0.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2953    0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8932    1.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4568    0.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2160    1.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4338    1.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8922    1.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1329    0.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4781   -0.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9152    0.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -0.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9559    0.8472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3494    0.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382    0.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772    0.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5810    1.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5659    2.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    1.5191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9956    2.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8203    2.1317    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4769    1.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067    0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0478   -0.3658    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  1  0  0  0  0
  8 10  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  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
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  6  0  0  0
 21 20  1  1  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 23  1  6  0  0  0
 23 24  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

PHUB000008 Score: 1.0	Carnosol precursor	C₂₀H₂₆O₄ Mono mass: 330.183109317
PHUB002040 Score: 1.0	16-Hydroxycarnosol precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937
PHUB002038 Score: 0.918	Epiisorosmanol precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937
PHUB002024 Score: 0.822	Epirosmanol precursor	C₂₀H₂₆O₅ Mono mass: 346.178023937
PHUB002025 Score: 0.79	Rosmanol precursor	C₂₀H₂₆O₄ Mono mass: 330.183109317
PHUB002022 Score: 0.766	Methyl carnosate precursor	C₂₁H₃₀O₄ Mono mass: 346.214409446
PHUB002020 Score: 0.728	Carnosic Acid 3650-09-7 precursor	C₂₀H₂₈O₄ Mono mass: 332.198759382
PHUB002023 Score: 0.704	Methoxy carnosol precursor	C₂₁H₃₀O₄ Mono mass: 346.214409446