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Mrv2104 03242315152D

20 22  0  0  1  0            999 V2000
   -0.4667    0.7148    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4667   -0.1101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7362    0.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513   -0.3650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2513    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1782   -0.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1782    1.2293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9825    1.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9825   -0.4409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3405    0.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7394   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006   -1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4962   -2.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    2.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7362   -0.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7393   -0.8887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551   -1.2537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    1.8340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7392    1.4935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  7  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  2  1  0  0  0  0
  2 17  1  1  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  4 15  1  6  0  0  0
  9  6  1  0  0  0  0
 11  6  1  0  0  0  0
  6 18  1  6  0  0  0
  8  7  1  0  0  0  0
  7 14  1  6  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
  9 16  1  6  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
  7 19  1  1  0  0  0
  1 20  1  1  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

PHUB002855 Score: 1.0	Viridiflorol 552-02-3 precursor	C₁₅H₂₆O Mono mass: 222.198365457
PHUB000084 Score: 0.763	Sabinene-hydrate (cis) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000085 Score: 0.763	Sabinene-hydrate (trans) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000093 Score: 0.763	Thujan-3-ol precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000961 Score: 0.763	3-Hydroxytricyclene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001780 Score: 0.711	(+)-Borneol 464-43-7 precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001786 Score: 0.711	Isoborneol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB002859 Score: 0.711	(-)-borneol 464-45-9 precursor	C₁₀H₁₈O Mono mass: 154.1357652