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Chemical Structure Search

Structure Search Molecular Weight

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655
  Mrv0541 02231214522D

23 26  0  0  1  0            999 V2000
    7.5769    1.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0916   -1.7576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5402   -0.0648    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5402    0.7600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8259   -0.4773    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1114   -0.0648    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8259    1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3206   -0.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1114    0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8392   -1.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3206    1.0114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8021    0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5402    1.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3609   -0.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982   -1.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -1.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5964   -0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8143   -0.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6100   -0.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3998   -0.8027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6830    0.2652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  1  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  1  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  6  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END

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DB00655 Score: 1.0		Estrone 53-16-7 approved	C₁₈H₂₂O₂ Mono mass: 270.161979948
DB00783 Score: 0.797		Estradiol 50-28-2 approved investigational vet_approved	C₁₈H₂₄O₂ Mono mass: 272.177630012
DB04573 Score: 0.78		Estriol 50-27-1 approved investigational vet_approved	C₁₈H₂₄O₃ Mono mass: 288.172544634
DB07702 Score: 0.78		17alpha-Estriol 1228-72-4 experimental	C₁₈H₂₄O₃ Mono mass: 288.172544634
DB07706 Score: 0.775		2-Hydroxyestradiol 362-05-0 experimental	C₁₈H₂₄O₃ Mono mass: 288.172544634
DB04574 Score: 0.756		Estrone sulfate 481-97-0 approved	C₁₈H₂₂O₅S Mono mass: 350.118794504
DB00977 Score: 0.743		Ethinylestradiol 57-63-6 approved	C₂₀H₂₄O₂ Mono mass: 296.177630012
DB12235 Score: 0.733		Estetrol 15183-37-6 approved investigational	C₁₈H₂₄O₄ Mono mass: 304.167459256
DB07707 Score: 0.725		(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL experimental	C₂₀H₂₈O₃ Mono mass: 316.203844762
DB13954 Score: 0.72		Estradiol cypionate 313-06-4 approved investigational vet_approved	C₂₆H₃₆O₃ Mono mass: 396.266445018
DB13386 Score: 0.719		Epimestrol 7004-98-0 experimental	C₁₉H₂₆O₃ Mono mass: 302.188194697
DB15690 Score: 0.716		Fluoroestradiol F-18 94153-53-4 approved	C₁₈H₂₃FO₂ Mono mass: 289.170742648
DB13956 Score: 0.701		Estradiol valerate 979-32-8 approved investigational vet_approved	C₂₃H₃₂O₃ Mono mass: 356.23514489
DB02342 Score: 0.701		2-Methoxyestradiol 362-07-2 investigational	C₁₉H₂₆O₃ Mono mass: 302.188194698

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