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Mrv2104 06072104222D

42 43  0  0  1  0            999 V2000
   32.5681   -7.4360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1376  -24.3488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5981  -22.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0106  -21.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6950  -10.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1075   -9.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1376  -19.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5666  -16.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1390  -14.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5681  -12.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1390   -9.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5666  -21.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4232  -22.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2825   -9.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5681   -8.2610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.1376  -21.8738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.1376  -23.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2825   -8.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4232  -23.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8535   -8.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8522  -19.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2811  -17.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4246  -14.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8535  -11.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1376  -21.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8522  -20.6363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5666  -19.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1390  -12.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9956  -16.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7101  -14.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2811  -18.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4246  -13.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5666  -18.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1390  -13.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9956  -16.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7101  -15.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8535  -11.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5681  -10.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8535   -9.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8522  -22.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5681   -9.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8522  -23.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  1  0  0  0
  2 17  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 18  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  1  0  0  0  0
 16 25  1  1  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 20 39  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
 22 29  2  0  0  0  0
 22 31  1  0  0  0  0
 23 30  2  0  0  0  0
 23 32  1  0  0  0  0
 24 28  2  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 35 36  2  0  0  0  0
 37 38  2  0  0  0  0
 38 41  1  0  0  0  0
 39 41  2  0  0  0  0
 40 42  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 — 10 of approximately 10 results

PHUB000361 Score: 1.0	Lutein 127-40-2 precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000355 Score: 0.915	α-Cryptoxanthin 24480-38-4 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000360 Score: 0.915	Lactucaxanthin precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000463 Score: 0.89	Zeinoxanthin 24480-38-4 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000461 Score: 0.869	Anhydrolutein I 92760-20-8 precursor	C₄₀H₅₄O Mono mass: 550.417466359
PHUB000368 Score: 0.819	Rubixanthin 3763-55-1 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000356 Score: 0.817	β-Cryptoxanthin 472-70-8 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000370 Score: 0.817	Zeaxanthin 144-68-3 precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000462 Score: 0.817	Zeaxanthin (meso) precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB002548 Score: 0.817	cryptoxanthin-(beta) 472-70-8 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000358 Score: 0.703	Flavoxanthin precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663