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Mrv2104 06072104183D

13 13  0  0  0  0            999 V2000
    3.3869   -1.6835   -0.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243    0.3537   -1.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3336   -1.3496    0.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830    0.6190   -1.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848    1.9225   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703   -1.6351   -0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5264    0.1563    1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0543    0.0809    1.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0710    0.0879    0.1813 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4270   -0.2945   -0.4082 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6144    0.4339    0.1453 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6915    0.8915    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067   -0.2989   -0.7660 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  9  1  0  0  0  0
  3  9  1  0  0  0  0
 10  4  1  6  0  0  0
 11  5  1  6  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 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 — 7 of approximately 7 results

PHUB000057 Score: 1.0	linalool oxide (cis-furan) precursor	C₁₁H₂₀O₂ Mono mass: 184.146329884
PHUB000060 Score: 1.0	linalool oxide (trans-furan) precursor	C₁₁H₂₀O₂ Mono mass: 184.146329884
PHUB000058 Score: 0.852	Linalool oxide (cis-pyran) precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000061 Score: 0.852	Linalool oxide (trans-pyran) precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000056 Score: 0.75	linalool oxide (cis-anhydrofuran) precursor	C₁₁H₁₈O Mono mass: 166.1357652
PHUB000059 Score: 0.75	linalool oxide (trans-anhydrofuran) precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001800 Score: 0.71	1,4-cineol-8-en-9-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135