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Mrv2104 03102314102D

81 87  0  0  1  0            999 V2000
   -6.4216    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9926   -2.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8492    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520    4.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2781    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5637   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1520    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4203    3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0086   -2.6812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 58  1  0  0  0  0
  2 59  1  0  0  0  0
  3  6  2  0  0  0  0
  3 16  1  0  0  0  0
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  6 30  1  0  0  0  0
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 28 13  1  0  0  0  0
 13 60  1  0  0  0  0
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 29 15  1  0  0  0  0
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 20 22  2  0  0  0  0
 20 45  1  0  0  0  0
 21 46  2  0  0  0  0
 22 47  1  0  0  0  0
 23 63  1  0  0  0  0
 24 31  2  0  0  0  0
 24 58  1  0  0  0  0
 25 31  1  0  0  0  0
 25 59  1  0  0  0  0
 26 39  2  0  0  0  0
 26 65  1  0  0  0  0
 27 68  1  0  0  0  0
 34 27  1  0  0  0  0
 27 64  1  0  0  0  0
 28 69  1  6  0  0  0
 32 28  1  0  0  0  0
 28 66  1  0  0  0  0
 29 70  1  6  0  0  0
 33 29  1  0  0  0  0
 29 67  1  0  0  0  0
 30 48  1  0  0  0  0
 30 60  2  0  0  0  0
 31 49  1  0  0  0  0
 32 71  1  1  0  0  0
 32 35  1  0  0  0  0
 32 50  1  0  0  0  0
 33 72  1  6  0  0  0
 33 36  1  0  0  0  0
 33 51  1  0  0  0  0
 34 73  1  1  0  0  0
 37 34  1  0  0  0  0
 34 52  1  6  0  0  0
 35 74  1  6  0  0  0
 35 38  1  0  0  0  0
 35 53  1  0  0  0  0
 36 75  1  6  0  0  0
 36 40  1  0  0  0  0
 36 54  1  0  0  0  0
 37 76  1  6  0  0  0
 37 41  1  0  0  0  0
 37 55  1  1  0  0  0
 38 77  1  1  0  0  0
 38 42  1  0  0  0  0
 38 56  1  0  0  0  0
 39 63  1  0  0  0  0
 40 78  1  1  0  0  0
 40 43  1  0  0  0  0
 40 61  1  0  0  0  0
 41 79  1  1  0  0  0
 41 57  1  6  0  0  0
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 42 80  1  6  0  0  0
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 42 66  1  0  0  0  0
 43 81  1  6  0  0  0
 43 65  1  0  0  0  0
 43 67  1  0  0  0  0
M  CHG  1  60   1
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
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 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

PHUB000700 Score: 0.858	Patuletin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside precursor	C₄₃H₄₈O₂₅ Mono mass: 964.248467046
PHUB000723 Score: 0.858	Spinacetin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside precursor	C₄₄H₅₀O₂₅ Mono mass: 978.26411711
PHUB000724 Score: 0.848	Spinacetin 3-O-(2''-p-coumaroylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside precursor	C₄₃H₄₈O₂₄ Mono mass: 948.253552426
PHUB000495 Score: 0.835	Cyanidin 3-(sinapoyl)-diglucoside-5-glucoside precursor	C₄₄H₅₁O₂₅ Mono mass: 979.271393562
PHUB000490 Score: 0.832	Cyanidin 3-(feruloyl)-diglucoside-5-glucoside precursor	C₄₃H₄₉O₂₄ Mono mass: 949.260828878
PHUB000484 Score: 0.824	Cyanidin 3-(caffeoyl)(p-coumaroyl)-diglucoside-5-glucoside precursor	C₅₁H₅₃O₂₆ Mono mass: 1081.281958247
PHUB000485 Score: 0.824	Cyanidin 3-(caffeoyl)-diglucoside-5-glucoside precursor	C₄₂H₄₇O₂₄ Mono mass: 935.245178814
PHUB000496 Score: 0.824	Cyanidin 3-(sinapoyl)-glucoside-5-glucoside precursor	C₃₈H₄₁O₂₀ Mono mass: 817.21857014
PHUB000488 Score: 0.823	Cyanidin 3-(feruloyl)(sinapoyl)-diglucoside-5-glucoside precursor	C₅₄H₅₉O₂₈ Mono mass: 1155.31873768
PHUB000489 Score: 0.823	Cyanidin 3-(feruloyl)(sinapoyl)-triglucoside-5-glucoside precursor	C₆₀H₆₉O₃₃ Mono mass: 1317.371561102
PHUB000494 Score: 0.823	Cyanidin 3-(sinapoyl)(sinapoyl)-diglucoside-5-glucoside precursor	C₅₅H₆₁O₂₉ Mono mass: 1185.329302364
PHUB000491 Score: 0.821	Cyanidin 3-(feruloyl)-glucoside-5-glucoside precursor	C₃₇H₃₉O₁₉ Mono mass: 787.208005456
PHUB000486 Score: 0.82	Cyanidin 3-(feruloyl)(feruloyl)-diglucoside-5-glucoside precursor	C₅₃H₅₇O₂₇ Mono mass: 1125.308172996
PHUB000487 Score: 0.82	Cyanidin 3-(feruloyl)(feruloyl)-triglucoside-5-glucoside precursor	C₅₉H₆₇O₃₂ Mono mass: 1287.360996418
PHUB000497 Score: 0.82	Cyanidin 3-(sinapoyl)-triglucoside-5-glucoside precursor	C₅₀H₆₁O₃₀ Mono mass: 1141.324216984
PHUB000492 Score: 0.816	Cyanidin 3-(feruloyl)-triglucosides-5-glucoside precursor	C₄₉H₅₉O₂₉ Mono mass: 1111.3136523
PHUB000493 Score: 0.814	Cyanidin 3-(p-coumaroyl)-diglucoside-5-glucoside precursor	C₄₂H₄₇O₂₃ Mono mass: 919.250264194
PHUB000725 Score: 0.809	Spinacetin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside precursor	C₃₄H₄₂O₂₂ Mono mass: 802.216772992
PHUB000701 Score: 0.808	Patuletin 3-O-glucosyl-(1->6)-[apiosyl(1->2)]-glucoside precursor	C₃₃H₄₀O₂₂ Mono mass: 788.201122928
PHUB000726 Score: 0.804	Spinacetin 3-O-glucosyl-(1->6)-glucoside precursor	C₂₉H₃₄O₁₈ Mono mass: 670.174514255
PHUB000713 Score: 0.796	Quercetin 3-O-rhamnosyl-galactoside precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886
PHUB000715 Score: 0.796	Quercetin 3-O-sophoroside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000718 Score: 0.796	Quercetin 3-O-xylosyl-rutinoside precursor	C₃₂H₃₈O₂₀ Mono mass: 742.195643624
PHUB000707 Score: 0.794	Quercetin 3-O-acetyl-rhamnoside precursor	C₂₃H₂₂O₁₂ Mono mass: 490.111126148
PHUB000698 Score: 0.789	Myricetin 3-O-rutinoside precursor	C₂₇H₃₀O₁₇ Mono mass: 626.148299506
PHUB000709 Score: 0.789	Quercetin 3-O-glucosyl-rhamnosyl-galactoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000710 Score: 0.789	Quercetin 3-O-glucosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₁ Mono mass: 772.206208308
PHUB000711 Score: 0.789	Quercetin 3-O-glucosyl-xyloside precursor	C₂₆H₂₈O₁₆ Mono mass: 596.137734822
PHUB000714 Score: 0.789	Quercetin 3-O-rhamnosyl-rhamnosyl-glucoside precursor	C₃₃H₄₀O₂₀ Mono mass: 756.211293688
PHUB000722 Score: 0.789	Rutin precursor	C₂₇H₃₀O₁₆ Mono mass: 610.153384886