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Mrv2104 06072104252D

50 54  0  0  0  0            999 V2000
    1.2231    3.4636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259    2.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657    3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8657    4.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5872    4.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2306    4.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123    4.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5872    3.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2306    3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123    3.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    0.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    1.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8272    1.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4618    2.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9848    3.4636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    3.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2684    2.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9483    2.3420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9502    3.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2704    4.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9123    4.5466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9123    3.4636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2704    2.3420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0402    0.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4644    0.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4815   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0559   -0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    0.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4133    1.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546   -0.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7028   -1.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1084   -1.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3215   -1.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7373   -2.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9414   -2.3160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3662   -3.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -4.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5703   -3.6960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  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
 34 35  1  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 43  1  0  0  0  0
 37 38  1  0  0  0  0
 37 42  1  0  0  0  0
 38 39  1  0  0  0  0
 38 41  1  0  0  0  0
 39 40  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  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 — 30 of approximately 100 results

PHUB000705 Score: 1.0	Quercetin 3-O-(6''-malonyl-glucoside) 7-O-glucoside precursor	C₃₀H₃₂O₂₀ Mono mass: 712.14869343
PHUB000706 Score: 0.98	Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₇ Mono mass: 652.16394957
PHUB000704 Score: 0.976	Quercetin 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₅ Mono mass: 550.095870008
PHUB000678 Score: 0.965	Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₂₉H₃₂O₁₆ Mono mass: 636.16903495
PHUB000677 Score: 0.961	Kaempferol 3-O-(6''-malonyl-glucoside) precursor	C₂₄H₂₂O₁₄ Mono mass: 534.100955388
PHUB000707 Score: 0.946	Quercetin 3-O-acetyl-rhamnoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000679 Score: 0.941	Kaempferol 3-O-acetyl-glucoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000675 Score: 0.931	Kaempferol 3-O-(2''-rhamnosyl-6''-acetyl-galactoside) 7-O-rhamnoside precursor	C₃₄H₄₀O₂₁ Mono mass: 784.206208308
PHUB000708 Score: 0.929	Quercetin 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000665 Score: 0.926	Isorhamnetin 3-O-glucoside 7-O-rhamnoside precursor	C₂₈H₃₂O₁₆ Mono mass: 624.16903495
PHUB000717 Score: 0.915	Quercetin 3-O-xylosyl-glucuronide precursor	C₂₆H₂₆O₁₇ Mono mass: 610.116999377
PHUB000698 Score: 0.914	Myricetin 3-O-rutinoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000709 Score: 0.914	Quercetin 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000710 Score: 0.914	Quercetin 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000711 Score: 0.914	Quercetin 3-O-glucosyl-xyloside precursor	C₂₆H₂₈O₁₆ Mono mass: 596.137734822
PHUB000714 Score: 0.914	Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000722 Score: 0.914	Rutin precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000676 Score: 0.907	Kaempferol 3-O-(2''-rhamnosyl-galactoside) 7-O-rhamnoside precursor	C₃₃H₄₀O₁₉ Mono mass: 740.216379068
PHUB000688 Score: 0.907	Kaempferol 3-O-sophoroside 7-O-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000713 Score: 0.907	Quercetin 3-O-rhamnosyl-galactoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000715 Score: 0.907	Quercetin 3-O-sophoroside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000718 Score: 0.907	Quercetin 3-O-xylosyl-rutinoside precursor	C₃₂H₃₈O₂₀ Mono mass: 742.195643624
PHUB000660 Score: 0.906	Quercetin 3-O-galactoside precursor metabolite	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000661 Score: 0.906	Isoquercitrin 482-35-9 precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000673 Score: 0.906	Kaempferol 3,7,4'-O-triglucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000674 Score: 0.906	Kaempferol 3,7-O-diglucoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000680 Score: 0.906	Kaempferol 3-O-galactoside 7-O-rhamnoside precursor	C₂₇H₃₀O₁₅ Mono mass: 594.158470266
PHUB000696 Score: 0.906	Myricetin 3-O-galactoside precursor	C₂₁H₂₀O₁₃ Mono mass: 480.090390704
PHUB000699 Score: 0.906	Myricitrin precursor	C₂₁H₂₀O₁₂ Mono mass: 464.095476084
PHUB000720 Score: 0.906	Quercitrin precursor	C₂₁H₂₀O₁₁ Mono mass: 448.100561464