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Mrv2104 06072104182D

36 40  0  0  0  0            999 V2000
   -0.0215    1.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2998   -1.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461   -1.1611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7338    0.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0215   -1.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461   -1.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7316   -1.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723   -0.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5868   -0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578   -0.7548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7335    0.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4479    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4479   -0.3346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7335   -0.7470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0189   -0.3345    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0189    0.4903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6956   -0.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6973    0.0763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955    0.9028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0231    1.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6877    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672    1.7098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3153    2.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4916    2.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5703    3.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    0.4903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1245    0.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390    0.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1591   -2.2926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5863   -1.5800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1582   -1.5800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3886   -2.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3462   -2.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724   -1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11  2  1  1  0  0  0
  8 15  1  0  0  0  0
 14  4  1  6  0  0  0
 14 11  1  0  0  0  0
 17 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15  5  1  1  0  0  0
 16  6  1  6  0  0  0
 17  1  1  1  0  0  0
 18 19  1  0  0  0  0
 16 18  1  0  0  0  0
 21 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  6  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 19 28  1  0  0  0  0
 28 21  1  0  0  0  0
 28 22  1  0  0  0  0
 33 31  1  6  0  0  0
 36 34  1  0  0  0  0
 36 35  1  0  0  0  0
 32 36  1  0  0  0  0
 36 33  1  0  0  0  0
 10 32  1  0  0  0  0
 32  3  1  1  0  0  0
 33 11  1  0  0  0  0
 33  7  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 — 19 of approximately 19 results

PHUB000012 Score: 1.0	Betulin precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000174 Score: 0.978	lupeol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000959 Score: 0.837	6-exo-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB002074 Score: 0.771	Akhdardiol precursor	C₂₀H₃₄O₂ Mono mass: 306.255880335
PHUB000960 Score: 0.769	7-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000163 Score: 0.767	Betulinic acid precursor	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB000165 Score: 0.754	Colubrinic acid precursor	C₃₀H₄₆O₄ Mono mass: 470.339609961
PHUB000482 Score: 0.75	Citrostadienol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB002076 Score: 0.74	Akhdartriol precursor	C₂₀H₃₄O₃ Mono mass: 322.250794955
PHUB002706 Score: 0.74	Pinocarveol 5947-36-4 precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000469 Score: 0.733	Avenasterol (delta7-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000480 Score: 0.733	Spinasterol-alpha precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000990 Score: 0.725	Limonene-1,2-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001847 Score: 0.725	Limonene-1,2-glycol	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000471 Score: 0.717	Campestanol precursor	C₂₈H₅₀O Mono mass: 402.38616623
PHUB000478 Score: 0.717	Sitostanol-beta precursor	C₂₉H₅₂O Mono mass: 416.401816294
PHUB000972 Score: 0.714	Dihydrocarveol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001811 Score: 0.714	isopulegone metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000956 Score: 0.707	Protopanaxatriol 1453-93-6 precursor metabolite	C₃₀H₅₂O₄ Mono mass: 476.386560154
PHUB002101 Score: 0.707	Protopanaxadiol precursor metabolite	C₃₀H₅₂O₃ Mono mass: 460.391645534