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Mrv2104 06072104292D

14 15  0  0  0  0            999 V2000
   -1.2650    0.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    0.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0610    0.6078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975   -0.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2031    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045   -0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9175    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170   -0.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9175   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320   -1.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465   -0.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  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

PHUB001249 Score: 1.0	5-(3'-Hydroxyphenyl)-gamma-valerolactone metabolite	C₁₁H₁₂O₃ Mono mass: 192.078644246
PHUB002235 Score: 0.97	5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone metabolite	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB001060 Score: 0.951	5-(3',4'-dihydroxyphenyl)-gamma-valerolactone 21618-92-8 metabolite	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB001993 Score: 0.951	5-(3',4'-dihydroxyphenyl)-γ-valerolactone 21618-92-8 / 1108192-01-3 / 191666-22-5 metabolite	C₁₁H₁₂O₄ Mono mass: 208.073558866
PHUB001833 Score: 0.924	5-(3’,4’,5’-trihydroxyphenyl)-gamma-valerolactone metabolite	C₁₁H₁₂O₅ Mono mass: 224.068473486
PHUB001834 Score: 0.9	5-(4’-hydroxyphenyl)-gamma-valerolactone metabolite	C₁₁H₁₂O₃ Mono mass: 192.078644246
PHUB002778 Score: 0.898	5-(3'- Hydroxy-4'-methoxyphenyl)-γ-valerolactone metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB002145 Score: 0.882	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB002776 Score: 0.882	5-(4'-Hydroxy-3'-methoxyphenyl)-γ-valerolactone metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB001749 Score: 0.806	5-(3'-Hydroxyphenyl)-gamma-hydroxyvaleric acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001987 Score: 0.767	4-hydroxy-5-(3',4'-dihydroxyphenyl)valeric acid metabolite	C₁₁H₁₄O₅ Mono mass: 226.084123551
PHUB001751 Score: 0.758	5-(Phenyl)-gamma-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₆S Mono mass: 272.03545928
PHUB002781 Score: 0.734	4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB002783 Score: 0.734	4-Hydroxy-5-(4'-hydroxy- 3'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB002161 Score: 0.729	5-(Phenyl)-γ-valerolactone-3′,5′-disulfate metabolite	C₁₁H₁₂O₁₀S₂ Mono mass: 367.987188934
PHUB002185 Score: 0.729	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB002218 Score: 0.719	5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone-4′-sulfate metabolite	C₁₁H₁₂O₈S Mono mass: 304.02528852
PHUB001755 Score: 0.708	5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001995 Score: 0.708	5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001997 Score: 0.708	5-(4'-hydroxyphenyl)-γ-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739