Chemical Structure Search

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6450812
  Mrv2104 06072104192D

15 17  0  0  1  0            999 V2000
    3.7157   -0.7019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3976   -1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590   -0.3440    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9723   -0.3440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7888    0.4604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6426    0.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032    1.1054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2203   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9327   -1.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282    1.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2672   -0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9717    0.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501   -0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9452    1.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1918   -1.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  1  0  0  0
  4  5  1  0  0  0  0
  4 11  1  6  0  0  0
  5  7  1  0  0  0  0
  5 12  1  6  0  0  0
  6 10  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  6  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  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

PHUB000102 Score: 1.0	Aromadandrene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000125 Score: 1.0	Gurjunene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000135 Score: 0.886	Longifolene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000112 Score: 0.829	Cedrene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000104 Score: 0.794	Bourbonene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000083 Score: 0.743	Sabinene precursor	C₁₀H₁₆ Mono mass: 136.125200515