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Mrv2104 06072104212D

16 17  0  0  0  0            999 V2000
10000.019510000.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.733810000.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5873 9998.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.159210000.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.588610000.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.874210000.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8742 9999.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5886 9998.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3031 9999.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.303110000.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.880310001.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.165810001.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.451310001.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.451210000.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.165710000.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.880310000.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 10  1  0  0  0  0
  8  3  1  0  0  0  0
  6  4  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  2 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 — 23 of approximately 23 results

PHUB000322 Score: 1.0	Pinosylvin precursor	C₁₄H₁₂O₂ Mono mass: 212.083729626
PHUB000324 Score: 0.946	Resveratrol (trans-) precursor metabolite	C₁₄H₁₂O₃ Mono mass: 228.078644246
PHUB000335 Score: 0.946	Resveratrol (cis-) precursor metabolite	C₁₄H₁₂O₃ Mono mass: 228.078644246
PHUB002549 Score: 0.946	trans-Resveratrol 501-36-0 precursor	C₁₄H₁₂O₃ Mono mass: 228.078644246
PHUB000320 Score: 0.914	Piceatannol 10083-24-6 precursor metabolite	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB000337 Score: 0.914	Piceatannol (cis-) precursor	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB001501 Score: 0.893	3,4'-dihydroxy-trans-stilbene metabolite	C₁₄H₁₂O₂ Mono mass: 212.083729626
PHUB000333 Score: 0.841	Oxyresveratrol precursor metabolite	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB000336 Score: 0.841	Oxyresveratrol (cis-) precursor	C₁₄H₁₂O₄ Mono mass: 244.073558866
PHUB001516 Score: 0.815	Mono-demethylated pterostilbene metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB001523 Score: 0.815	Pinostilbene metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB000323 Score: 0.803	Pterostilbene precursor	C₁₆H₁₆O₃ Mono mass: 256.109944375
PHUB000327 Score: 0.803	Rhapontigenin 500-65-2 precursor metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB000328 Score: 0.791	Isorhapontigenin precursor metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB001519 Score: 0.779	Mono-hydroxylated pterostilbene metabolite	C₁₆H₁₆O₄ Mono mass: 272.104858995
PHUB000549 Score: 0.768	4-Vinylsyringol precursor	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB002603 Score: 0.741	3,4-Dihydroxystyrene 6053-02-7 metabolite	C₈H₈O₂ Mono mass: 136.052429498
PHUB000523 Score: 0.727	2-Methoxy-5-prop-1-enylphenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB000555 Score: 0.725	5-Nonadecenylresorcinol precursor	C₂₅H₄₂O₂ Mono mass: 374.318480592
PHUB000559 Score: 0.725	5-Pentacosenylresorcinol precursor	C₃₁H₅₄O₂ Mono mass: 458.412380979
PHUB000563 Score: 0.725	5-Tricosenylresorcinol precursor	C₂₉H₅₀O₂ Mono mass: 430.38108085
PHUB001688 Score: 0.725	5-Heneicosenylresorcinol precursor	C₂₇H₄₆O₂ Mono mass: 402.349780721
PHUB000621 Score: 0.716	Isoeugenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626
PHUB002398 Score: 0.714	3,5-dihydroxycinnamic acid 127791-54-2 metabolite	C₉H₈O₄ Mono mass: 180.042258738
PHUB002908 Score: 0.704	3,5-dihydroxycinnamic amide metabolite	C₉H₉NO₃ Mono mass: 179.058243149