Chemical Structure Search

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Dillapiole
  Mrv2104 06072104312D

16 17  0  0  0  0            999 V2000
    1.7383   -0.6126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383    0.7151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -0.7737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334   -1.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480    0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5190   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5190    0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334    0.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    0.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2568    0.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625    1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3771   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480   -2.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3771    2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
 11 13  1  0  0  0  0
 13 16  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 — 5 of approximately 5 results

PHUB001676 Score: 1.0	Dillapiole precursor	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB001682 Score: 0.897	Myristicin precursor	C₁₁H₁₂O₃ Mono mass: 192.078644246
PHUB001706 Score: 0.784	Safrole precursor metabolite	C₁₀H₁₀O₂ Mono mass: 162.068079562
PHUB001906 Score: 0.711	Elemicin 487-11-6 precursor	C₁₂H₁₆O₃ Mono mass: 208.109944375
PHUB001907 Score: 0.701	Methoxyeugenol 6627-88-9 precursor metabolite	C₁₁H₁₄O₃ Mono mass: 194.094294311