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Mrv2104 06072104232D          
 
 31 31  0  0  0  0            999 V2000
    8.8058  -10.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8058  -11.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0880  -10.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5161  -10.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0880  -11.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5161  -11.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3732  -10.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880   -9.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6621   -9.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2303  -10.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3732  -11.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9440  -10.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6576  -10.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9440   -9.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3761  -10.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0897  -10.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8075  -10.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5210  -10.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8075   -9.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2313  -10.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9491  -10.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6626  -10.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3748  -10.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1044  -10.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8106  -10.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5200  -10.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2190  -10.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9320  -10.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6291  -10.5012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3703  -11.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2144  -11.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
  7 11  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 23 30  1  0  0  0  0
 27 31  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 — 13 of approximately 13 results

PHUB000464 Score: 1.0	β-Apo-8'-carotenal 1107-26-2 precursor metabolite	C₃₀H₄₀O Mono mass: 416.307915908
PHUB001886 Score: 0.981	Retinal 116-31-4 metabolite	C₂₀H₂₈O Mono mass: 284.214015522
PHUB003044 Score: 0.912	13-apo-β-carotenone 85354-07-0 metabolite	C₁₈H₂₆O Mono mass: 258.198365457
PHUB000350 Score: 0.849	β-Carotene 7235-40-7 precursor metabolite	C₄₀H₅₆ Mono mass: 536.438201803
PHUB003073 Score: 0.841	all-trans-retinoic acid 302-79-4 metabolite	C₂₀H₂₈O₂ Mono mass: 300.208930142
PHUB001457 Score: 0.82	beta-Ionone 79-77-6 precursor	C₁₃H₂₀O Mono mass: 192.151415264
PHUB000351 Score: 0.818	γ-Carotene 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB001881 Score: 0.797	all-trans-retinol 11103-57-4 metabolite	C₂₀H₃₀O Mono mass: 286.229665586
PHUB000345 Score: 0.779	Canthaxanthin 514-78-3 precursor metabolite	C₄₀H₅₂O₂ Mono mass: 564.396730914
PHUB000357 Score: 0.779	Echinenone 432-68-8 precursor	C₄₀H₅₄O Mono mass: 550.417466359
PHUB000349 Score: 0.763	α-carotene 432-70-2 precursor metabolite	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000467 Score: 0.738	δ-Carotene 472-92-4 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000151 Score: 0.719	Trans-Muurola-4(14),5-diene precursor	C₁₅H₂₄ Mono mass: 204.187800773