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122400995
  Mrv2104 02212416372D

30 33  0  0  0  0            999 V2000
    4.2364   -2.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -2.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -4.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -3.9482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -3.9482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    2.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929   -2.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3898    4.7714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -3.9482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9508   -3.5357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5219   -3.5357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9508   -2.7107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5219   -2.7107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6654    1.0018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3798    1.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    1.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798    2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -1.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3798   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306    2.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6521    3.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1372    3.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3929    3.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
 13  2  1  1  0  0  0
  2 21  1  0  0  0  0
 10  3  1  1  0  0  0
 11  4  1  6  0  0  0
 12  5  1  6  0  0  0
  6 18  1  0  0  0  0
  6 22  1  0  0  0  0
  7 20  1  0  0  0  0
  8 20  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 20  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 23  2  0  0  0  0
 17 24  1  0  0  0  0
 19 22  2  0  0  0  0
 19 27  1  0  0  0  0
 21 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 28  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  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 — 30 of approximately 100 results

PHUB003026 Score: 1.0	Equol 4'-O-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB003025 Score: 0.995	Equol 7-O-glucuronide metabolite	C₂₁H₂₂O₉ Mono mass: 418.126382288
PHUB001357 Score: 0.905	Dihydrodaidzein 7-O-glucuronide metabolite	C₂₁H₂₀O₁₀ Mono mass: 432.105646844
PHUB001362 Score: 0.9	Formononetin 7-O-glucuronide metabolite	C₂₂H₂₂O₁₁ Mono mass: 462.116211528
PHUB001413 Score: 0.809	Dihydro-resveratrol-3-O-glucuronide metabolite	C₂₀H₂₂O₉ Mono mass: 406.126382288
PHUB001491 Score: 0.804	Dihydro-resveratrol-3,5-diglucuronide metabolite	C₂₆H₃₀O₁₅ Mono mass: 582.158470266
PHUB002389 Score: 0.796	Tyrosol glucuronide metabolite	C₁₄H₁₈O₈ Mono mass: 314.10016754
PHUB001586 Score: 0.793	3-Phenylpropionic acid-4'-O-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002848 Score: 0.784	Phenylacetic acid-4’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB002247 Score: 0.781	5-(Phenyl)-γ-valerolactone-4'-glucuronide metabolite	C₁₇H₂₀O₉ Mono mass: 368.110732224
PHUB001345 Score: 0.779	Phloretin-2'-glucuronide metabolite	C₂₁H₂₂O₁₁ Mono mass: 450.116211528
PHUB001382 Score: 0.775	3-(3,5-Dihydroxyphenyl)propionic acid glucuronide metabolite	C₁₅H₁₈O₁₀ Mono mass: 358.08999678
PHUB001746 Score: 0.767	(-)-Epicatechin-7-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB002310 Score: 0.767	4′-methoxy-(−)-epicatechin-7-β-D-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001743 Score: 0.765	(-)-Epicatechin-5-O-glucuronide metabolite	C₂₁H₂₂O₁₂ Mono mass: 466.111126148
PHUB002186 Score: 0.764	5-(5′-Hydroxyphenyl)-γ-valerolactone-3′-glucuronide metabolite	C₁₇H₂₀O₁₀ Mono mass: 384.105646844
PHUB001896 Score: 0.76	3'-Methyl-epicatechin-7-O-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002148 Score: 0.76	3′-Methoxy-(−)-epicatechin-7-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002191 Score: 0.76	5-(Phenyl)-γ-valerolactone-5′-methoxy-3′-glucuronide metabolite	C₁₈H₂₂O₁₀ Mono mass: 398.121296908
PHUB001744 Score: 0.758	3'-O-Methoxy-(-)-epicatechin-5-O-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB002266 Score: 0.758	3′-Methoxy-(−)-epicatechin-5′-glucuronide metabolite	C₂₂H₂₄O₁₂ Mono mass: 480.126776213
PHUB001256 Score: 0.757	4-(1-Carboxyphenyl)beta-D-glucuronic acid metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB001582 Score: 0.757	Benzoic acid-4-O-glucuronide metabolite	C₁₃H₁₄O₉ Mono mass: 314.063782031
PHUB002133 Score: 0.756	5-n-nonadecylresorcinol glucuronide metabolite	C₃₁H₅₂O₈ Mono mass: 552.366218634
PHUB002463 Score: 0.754	3-(3′-Hydroxyphenyl)propionic acid-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB002802 Score: 0.754	3-(phenyl)-propionic acid-3’-glucuronide metabolite	C₁₅H₁₈O₉ Mono mass: 342.09508216
PHUB001556 Score: 0.751	trans-δ-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406
PHUB001554 Score: 0.75	Oxyresveratrol-2-O-β-D-glucuronosyl metabolite	C₂₀H₂₀O₁₀ Mono mass: 420.105646844
PHUB002844 Score: 0.75	Phenylacetic acid-3’-glucuronide metabolite	C₁₄H₁₆O₉ Mono mass: 328.079432095
PHUB001555 Score: 0.746	ε-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406