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Sphondin 
  Mrv2104 06072104202D          
 
 16 18  0  0  0  0            999 V2000
   18.6450  -14.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6450  -15.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3462  -15.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0887  -15.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0887  -14.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3462  -13.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7900  -15.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4912  -15.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4912  -14.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7900  -13.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2337  -15.4275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0262  -15.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3562  -16.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1812  -16.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9437  -13.7775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2425  -14.1900    0.0000 C   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
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  3 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  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 — 18 of approximately 18 results

PHUB000249 Score: 1.0	Sphondin precursor	C₁₂H₈O₄ Mono mass: 216.042258738
PHUB000251 Score: 0.92	Xanthotoxin precursor	C₁₂H₈O₄ Mono mass: 216.042258738
PHUB000243 Score: 0.901	Pimpinellin precursor	C₁₃H₁₀O₅ Mono mass: 246.052823422
PHUB000241 Score: 0.869	Isopimpinellin precursor	C₁₃H₁₀O₅ Mono mass: 246.052823422
PHUB000252 Score: 0.839	Xanthotoxol precursor	C₁₁H₆O₄ Mono mass: 202.026608673
PHUB000237 Score: 0.803	Bergapten precursor	C₁₂H₈O₄ Mono mass: 216.042258738
PHUB000253 Score: 0.795	Isobergapten precursor	C₁₂H₈O₄ Mono mass: 216.042258738
PHUB000259 Score: 0.789	Bergaptol precursor	C₁₁H₆O₄ Mono mass: 202.026608673
PHUB001941 Score: 0.722	Isourolithin AR metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001944 Score: 0.72	4,10-Dihydroxyurolithin metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB000221 Score: 0.719	Coumestrol precursor	C₁₅H₈O₅ Mono mass: 268.037173358
PHUB000234 Score: 0.716	Angelicin precursor	C₁₁H₆O₃ Mono mass: 186.031694053
PHUB000246 Score: 0.716	Scopoletin precursor	C₁₀H₈O₄ Mono mass: 192.042258738
PHUB000258 Score: 0.711	Byakangelicin precursor	C₁₇H₁₈O₇ Mono mass: 334.10525292
PHUB001934 Score: 0.711	4,9,10-Trihydroxyurolithin metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001940 Score: 0.709	Urolithin AR metabolite	C₁₃H₈O₄ Mono mass: 228.042258738
PHUB001933 Score: 0.708	Urolithin M7R metabolite	C₁₃H₈O₅ Mono mass: 244.037173358
PHUB001932 Score: 0.7	Urolithin CR metabolite	C₁₃H₈O₅ Mono mass: 244.037173358