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Mrv2104 12212315272D

20 21  0  0  0  0            999 V2000
   -2.6339    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483   -0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6339   -1.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9193   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9193   -0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0628    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7773   -0.2122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5310    0.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0830   -0.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6705   -1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8636   -1.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0061   -1.9580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048    0.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2048   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2049    1.0251    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9194    1.4376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    1.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4904    0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  1  0  0  0  0
  8 12  1  6  0  0  0
 11 13  2  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6 14  1  0  0  0  0
 14 17  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 18  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 31 results

PHUB002187 Score: 1.0	5-(Phenyl)-γ-valerolactone-4′-methoxy-3′-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002788 Score: 1.0	5-(4'-Methoxyphenyl)-γ-valerolactone-3'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB001996 Score: 0.953	5-(3'-methoxyphenyl)-γ-valerolactone-4'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB002216 Score: 0.953	5-(Phenyl)-γ-valerolactone-3'-methoxy-4'-sulfate metabolite	C₁₂H₁₄O₇S Mono mass: 302.046023965
PHUB001755 Score: 0.938	5-(4'-hydroxyphenyl)-gamma-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001995 Score: 0.938	5-(3'-hydroxyphenyl)-γ-valerolactone-4'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001997 Score: 0.938	5-(4'-hydroxyphenyl)-γ-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB002162 Score: 0.919	5-(Phenyl)-γ-valerolactone-4',5'-disulfate metabolite	C₁₁H₁₂O₁₀S₂ Mono mass: 367.987188934
PHUB002199 Score: 0.907	5-(4′,5′-Dihydroxyphenyl)-γ-valerolactone 3′-sulfate metabolite	C₁₁H₁₂O₈S Mono mass: 304.02528852
PHUB002218 Score: 0.886	5-(3′,5′-Dihydroxyphenyl)-γ-valerolactone-4′-sulfate metabolite	C₁₁H₁₂O₈S Mono mass: 304.02528852
PHUB002775 Score: 0.884	4-Hydroxy-5-(4'-methoxyphenyl)valeric acid-3'-sulfate metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649
PHUB001751 Score: 0.877	5-(Phenyl)-gamma-valerolactone-3'-sulfate metabolite	C₁₁H₁₂O₆S Mono mass: 272.03545928
PHUB002161 Score: 0.848	5-(Phenyl)-γ-valerolactone-3′,5′-disulfate metabolite	C₁₁H₁₂O₁₀S₂ Mono mass: 367.987188934
PHUB002185 Score: 0.848	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-sulfate metabolite	C₁₁H₁₂O₇S Mono mass: 288.0303739
PHUB001988 Score: 0.839	4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-sulfate metabolite	C₁₂H₁₆O₈S Mono mass: 320.056588649
PHUB001989 Score: 0.816	4-hydroxy-5-(4'-hydroxyphenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB002784 Score: 0.8	4-Hydroxy-5-(Phenyl)valeric acid-3',4'-disulfate metabolite	C₁₁H₁₄O₁₁S₂ Mono mass: 385.997753619
PHUB002782 Score: 0.782	4-Hydroxy-5-(3'-hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₈S Mono mass: 306.040938585
PHUB001750 Score: 0.755	5-(Phenyl)-gamma-hydroxyvaleric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002220 Score: 0.755	4-Hydroxy-5-(phenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002769 Score: 0.75	4-Methoxyphenyllactic acid-3-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB002263 Score: 0.74	5-(4′-Hydroxyphenyl)-valeric acid-3′-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002778 Score: 0.74	5-(3'- Hydroxy-4'-methoxyphenyl)-γ-valerolactone metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB002786 Score: 0.74	5-(4'-Hydroxyphenyl)valeric acid-3'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002145 Score: 0.73	5-(4′-Hydroxyphenyl)-γ-valerolactone-3′-methoxy metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB002776 Score: 0.73	5-(4'-Hydroxy-3'-methoxyphenyl)-γ-valerolactone metabolite	C₁₂H₁₄O₄ Mono mass: 222.089208931
PHUB001592 Score: 0.724	Dihydroisoferulic acid-3'-O-sulfate metabolite	C₁₀H₁₂O₇S Mono mass: 276.0303739
PHUB002796 Score: 0.711	hexahydrocurcumin sulfate metabolite	C₂₁H₂₆O₉S Mono mass: 454.129753591
PHUB002768 Score: 0.709	3-Methoxyphenyllactic acid-4-sulfate metabolite	C₁₀H₁₂O₈S Mono mass: 292.02528852
PHUB002785 Score: 0.705	5-(3'-Hydroxyphenyl)valeric acid-4'-sulfate metabolite	C₁₁H₁₄O₇S Mono mass: 290.046023965
PHUB002749 Score: 0.704	4,3'-Dimethoxyrosmarinic acid-4'-sulfate metabolite	C₂₀H₂₀O₁₁S Mono mass: 468.072632638
PHUB002752 Score: 0.704	3'-Methoxyrosmarinic acid-4'-sulfate metabolite	C₁₉H₁₈O₁₁S Mono mass: 454.056982574
PHUB002743 Score: 0.7	3,3'-Dimethoxyrosmarinic acid-4'-sulfate metabolite	C₂₀H₂₀O₁₁S Mono mass: 468.072632638
PHUB002750 Score: 0.7	4,3'-Dimethoxyrosmarinic acid-3-sulfate metabolite	C₂₀H₂₀O₁₁S Mono mass: 468.072632638