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Mrv2104 09252323142D

19 19  0  0  1  0            999 V2000
   -3.5145   -1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2289   -0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2289   -0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3710   -0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0579   -0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867   -0.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    1.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012    1.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158   -0.1411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000   -0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855   -1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9270    0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5145    0.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1020    0.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  0  0  0  0
 15  4  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 18  1  0  0  0  0
 18  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
 10  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  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 — 13 of approximately 13 results

PHUB003044 Score: 1.0	13-apo-β-carotenone 85354-07-0 metabolite	C₁₈H₂₆O Mono mass: 258.198365457
PHUB001886 Score: 0.929	Retinal 116-31-4 metabolite	C₂₀H₂₈O Mono mass: 284.214015522
PHUB000464 Score: 0.912	β-Apo-8'-carotenal 1107-26-2 precursor metabolite	C₃₀H₄₀O Mono mass: 416.307915908
PHUB001457 Score: 0.9	beta-Ionone 79-77-6 precursor	C₁₃H₂₀O Mono mass: 192.151415264
PHUB000345 Score: 0.824	Canthaxanthin 514-78-3 precursor metabolite	C₄₀H₅₂O₂ Mono mass: 564.396730914
PHUB000357 Score: 0.824	Echinenone 432-68-8 precursor	C₄₀H₅₄O Mono mass: 550.417466359
PHUB000350 Score: 0.804	β-Carotene 7235-40-7 precursor metabolite	C₄₀H₅₆ Mono mass: 536.438201803
PHUB003073 Score: 0.776	all-trans-retinoic acid 302-79-4 metabolite	C₂₀H₂₈O₂ Mono mass: 300.208930142
PHUB000351 Score: 0.776	γ-Carotene 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB001881 Score: 0.73	all-trans-retinol 11103-57-4 metabolite	C₂₀H₃₀O Mono mass: 286.229665586
PHUB000040 Score: 0.726	Damascenone-beta precursor	C₁₃H₁₈O Mono mass: 190.1357652
PHUB000349 Score: 0.726	α-carotene 432-70-2 precursor metabolite	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000467 Score: 0.703	δ-Carotene 472-92-4 precursor	C₄₀H₅₆ Mono mass: 536.438201803