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Mrv2104 06072104352D

43 47  0  0  1  0            999 V2000
   16.6154  -12.6738    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7911  -13.0012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.2865  -12.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2421  -13.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6826  -13.8363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0887  -12.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0561  -11.3358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1103  -14.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3294  -14.3484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9157  -14.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0315  -13.3297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2410  -11.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7956  -14.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4424  -13.5076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9717  -14.8662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2093  -15.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4424  -15.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4946  -16.2921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2938  -16.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7355  -15.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2611  -12.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9155  -11.2550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9330  -10.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6300  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3445  -11.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0590  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0590  -10.0175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7734  -11.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4879  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2024  -11.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9168  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6313  -11.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3458  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0603  -11.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7747  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4892  -11.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2037  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9181  -11.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6326  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3471  -11.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0616  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7760  -11.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4905  -10.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
 13 17  1  0  0  0  0
  2 14  1  1  0  0  0
  9 15  1  1  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
  2  6  1  0  0  0  0
  1 21  1  1  0  0  0
  3  7  1  0  0  0  0
  7 22  1  1  0  0  0
 21 22  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  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 — 14 of approximately 14 results

PHUB002030 Score: 1.0	Cafestol palmitate precursor	C₃₇H₆₀O₄ Mono mass: 568.449160412
PHUB002031 Score: 1.0	Cafestol stearate precursor	C₃₉H₆₄O₄ Mono mass: 596.480460541
PHUB002029 Score: 0.975	Cafestol oleate precursor	C₃₈H₆₀O₄ Mono mass: 580.449160412
PHUB002028 Score: 0.957	Cafestol linoleate precursor	C₃₈H₅₈O₄ Mono mass: 578.433510348
PHUB000001 Score: 0.838	16-O-Methylcafestol precursor	C₂₁H₃₀O₃ Mono mass: 330.219494826
PHUB000006 Score: 0.818	Cafestol 469-83-0 precursor	C₂₀H₂₈O₃ Mono mass: 316.203844762
PHUB000914 Score: 0.771	Cafestol (2-hydroxy-) metabolite	C₂₀H₂₈O₄ Mono mass: 332.198759382
PHUB002035 Score: 0.75	Kahweol palmitate precursor	C₃₆H₅₆O₄ Mono mass: 552.417860283
PHUB002036 Score: 0.75	Kahweol stearate precursor	C₃₈H₆₀O₄ Mono mass: 580.449160412
PHUB002034 Score: 0.746	Kahweol oleate precursor	C₃₈H₅₈O₄ Mono mass: 578.433510348
PHUB002033 Score: 0.734	Kahweol linoleate precursor	C₃₈H₅₆O₄ Mono mass: 576.417860283
PHUB002056 Score: 0.722	Mascaroside V precursor	C₂₃H₃₀O₅ Mono mass: 386.209324066
PHUB001716 Score: 0.71	Dehydrocafestol precursor	C₂₀H₂₆O₂ Mono mass: 298.193280077
PHUB002062 Score: 0.703	Mozambioside 70717-95-2 precursor	C₂₆H₃₆O₁₀ Mono mass: 508.230847359