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Mrv2104 06072104352D

42 46  0  0  1  0            999 V2000
   16.0314  -18.7780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7957  -18.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5270  -13.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5102  -19.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5008  -16.8610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.8001  -16.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8743  -17.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1937  -17.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5396  -17.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2452  -15.3926    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3668  -18.0242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6625  -16.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6617  -15.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1964  -16.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4334  -15.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1376  -16.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0812  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0558  -15.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5241  -14.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9004  -14.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9911  -13.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1793  -14.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0758  -14.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8450  -14.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5102  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2246  -18.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9391  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6536  -18.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3681  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0825  -18.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7970  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5115  -18.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2259  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9404  -18.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6549  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3694  -18.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0838  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7983  -18.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5128  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2272  -18.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9417  -18.4367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6562  -18.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  2 17  1  0  0  0  0
  2 25  1  0  0  0  0
  3 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  6  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 18  1  1  0  0  0
 10 19  1  0  0  0  0
 11 17  1  6  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 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 — 11 of approximately 11 results

PHUB002035 Score: 1.0	Kahweol palmitate precursor	C₃₆H₅₆O₄ Mono mass: 552.417860283
PHUB002036 Score: 1.0	Kahweol stearate precursor	C₃₈H₆₀O₄ Mono mass: 580.449160412
PHUB002034 Score: 0.994	Kahweol oleate precursor	C₃₈H₅₈O₄ Mono mass: 578.433510348
PHUB002033 Score: 0.977	Kahweol linoleate precursor	C₃₈H₅₆O₄ Mono mass: 576.417860283
PHUB001703 Score: 0.869	16-O-Methylkahweol precursor	C₂₁H₂₈O₃ Mono mass: 328.203844762
PHUB000010 Score: 0.851	Kahweol 6894-43-5 precursor metabolite	C₂₀H₂₆O₃ Mono mass: 314.188194697
PHUB002029 Score: 0.762	Cafestol oleate precursor	C₃₈H₆₀O₄ Mono mass: 580.449160412
PHUB001717 Score: 0.754	Dehydrokahweol precursor	C₂₀H₂₄O₂ Mono mass: 296.177630013
PHUB002028 Score: 0.75	Cafestol linoleate precursor	C₃₈H₅₈O₄ Mono mass: 578.433510348
PHUB002030 Score: 0.75	Cafestol palmitate precursor	C₃₇H₆₀O₄ Mono mass: 568.449160412
PHUB002031 Score: 0.75	Cafestol stearate precursor	C₃₉H₆₄O₄ Mono mass: 596.480460541