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Mrv2104 08232116242D

24 28  0  0  1  0            999 V2000
    0.0794    1.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4846    0.7379    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8984    1.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7234    1.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346    0.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7209    0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2718   -0.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0261   -0.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9412    0.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959    0.0227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4901   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3360   -0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026   -0.0133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3811    0.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0435    0.7369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6376    1.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776    1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.7537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2502   -0.1012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0261    0.1790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6102   -0.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1473   -1.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5119   -0.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6568   -0.3527    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
 10  6  1  1  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
  2 18  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  6  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
 13 23  1  0  0  0  0
 20 24  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 — 7 of approximately 7 results

PHUB001703 Score: 1.0	16-O-Methylkahweol precursor	C₂₁H₂₈O₃ Mono mass: 328.203844762
PHUB000010 Score: 0.979	Kahweol 6894-43-5 precursor metabolite	C₂₀H₂₆O₃ Mono mass: 314.188194697
PHUB002035 Score: 0.869	Kahweol palmitate precursor	C₃₆H₅₆O₄ Mono mass: 552.417860283
PHUB002036 Score: 0.869	Kahweol stearate precursor	C₃₈H₆₀O₄ Mono mass: 580.449160412
PHUB002034 Score: 0.864	Kahweol oleate precursor	C₃₈H₅₈O₄ Mono mass: 578.433510348
PHUB002033 Score: 0.849	Kahweol linoleate precursor	C₃₈H₅₆O₄ Mono mass: 576.417860283
PHUB001717 Score: 0.848	Dehydrokahweol precursor	C₂₀H₂₄O₂ Mono mass: 296.177630013