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Dihydroperillic acid (cis-, -glucuronide)
  Mrv2104 02212314082D

24 25  0  0  1  0            999 V2000
    6.2772   -8.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2772   -9.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627   -9.4905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8483   -9.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   -8.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627   -7.8405    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5627   -7.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627  -10.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2772  -10.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483  -10.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   -6.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2772   -6.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2772   -5.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627   -4.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627   -5.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2772   -4.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -5.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9917   -4.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   -4.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2772   -3.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062   -4.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062   -5.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062   -6.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206   -5.3655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
  4  5  1  0  0  0  0
  3  4  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  3  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 16 18  1  0  0  0  0
 18 17  1  0  0  0  0
 16 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 13  1  0  0  0  0
 17 13  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  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 — 22 of approximately 22 results

PHUB001003 Score: 1.0	Dihydroperillic acid glucuronide (cis-) metabolite	C₁₆H₂₄O₈ Mono mass: 344.147117733
PHUB001002 Score: 0.845	Dihydroperillic acid glucuronide (trans-) metabolite	C₁₆H₂₄O₈ Mono mass: 344.147117733
PHUB002626 Score: 0.791	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB002092 Score: 0.768	Steviol glucuronide metabolite	C₂₆H₃₈O₉ Mono mass: 494.251582804
PHUB002630 Score: 0.767	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002615 Score: 0.765	hydroxy-p-menth-8-en-7-oic acid glucuronide II metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002619 Score: 0.75	Limonene-1,2-diol glucuronide I metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002628 Score: 0.75	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002620 Score: 0.74	Limonene-1,2-diol glucuronide II metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002614 Score: 0.726	hydroxy-p-menth-8-en-7-oic acid glucuronide I metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002528 Score: 0.724	Matesaponin 2 164178-27-2 precursor	C₅₃H₈₆O₂₁ Mono mass: 1058.566159789
PHUB002529 Score: 0.724	Matesaponin 3 164178-28-3 precursor	C₅₃H₈₆O₂₂ Mono mass: 1074.561074409
PHUB002530 Score: 0.724	Matesaponin 4 164178-29-4 precursor	C₅₉H₉₆O₂₆ Mono mass: 1220.618983211
PHUB002613 Score: 0.715	hydroxy-p-menthan-7-oic acid glucuronide metabolite	C₁₆H₂₆O₉ Mono mass: 362.157682417
PHUB002045 Score: 0.712	Stevioside precursor	C₃₈H₆₀O₁₈ Mono mass: 804.377965092
PHUB002065 Score: 0.712	Dulcoside A precursor	C₃₈H₆₀O₁₇ Mono mass: 788.383050472
PHUB002066 Score: 0.712	Rebaudioside A precursor	C₄₄H₇₀O₂₃ Mono mass: 966.430788514
PHUB002068 Score: 0.712	Rebaudioside C 63550-99-2 precursor	C₄₄H₇₀O₂₂ Mono mass: 950.435873894
PHUB002071 Score: 0.712	Rebaudioside F precursor	C₄₃H₆₈O₂₂ Mono mass: 936.42022383
PHUB000949 Score: 0.71	Glycyrrhetinic acid 30-O-glucuronide metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB002069 Score: 0.707	Rebaudioside D 63279-13-0 precursor	C₅₀H₈₀O₂₈ Mono mass: 1128.483611936
PHUB002070 Score: 0.707	Rebaudioside E 63279-14-1 precursor	C₄₄H₇₀O₂₃ Mono mass: 966.430788514