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lactucaxanthin
  Mrv2104 06072104222D

42 43  0  0  0  0            999 V2000
   -6.7893   -0.2309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0748    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5038   -1.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2182   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3602   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6459    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9314   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6459    1.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2169    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5025   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7880    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0734   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7880    1.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3590    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3554   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0699    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844   -1.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2133   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9278    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6422   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3567    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6422   -1.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7857    0.1816    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5001    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2146    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7893   -1.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0748   -1.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712    1.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7857    1.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9163    0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5038    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0913    0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0876   -0.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5001   -0.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9126   -0.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2146    1.0066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9291    1.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2182   -1.0559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9327   -1.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  1 34  1  0  0  0  0
  1  2  1  1  0  0  0
 29  3  2  0  0  0  0
 34  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3 41  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 26 25  1  1  0  0  0
 26 32  1  0  0  0  0
 26 37  1  0  0  0  0
 32 27  2  0  0  0  0
 37 28  1  0  0  0  0
 27 39  1  0  0  0  0
  4 41  1  0  0  0  0
 28 39  1  0  0  0  0
 29 30  1  0  0  0  0
 32 31  1  0  0  0  0
 34 33  1  0  0  0  0
 34 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  6  0  0  0
 41 42  1  6  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 — 17 of approximately 17 results

PHUB000355 Score: 1.0	α-Cryptoxanthin 24480-38-4 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000360 Score: 1.0	Lactucaxanthin precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000361 Score: 0.915	Lutein 127-40-2 precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000463 Score: 0.805	Zeinoxanthin 24480-38-4 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000461 Score: 0.786	Anhydrolutein I 92760-20-8 precursor	C₄₀H₅₄O Mono mass: 550.417466359
PHUB001026 Score: 0.753	Verbenol (trans-) metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001824 Score: 0.753	Verbenol (cis-) 13040-03-4 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB002632 Score: 0.747	p-menth-2,8-dien-1-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000368 Score: 0.735	Rubixanthin 3763-55-1 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000356 Score: 0.732	β-Cryptoxanthin 472-70-8 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000370 Score: 0.732	Zeaxanthin 144-68-3 precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000462 Score: 0.732	Zeaxanthin (meso) precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB002548 Score: 0.732	cryptoxanthin-(beta) 472-70-8 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000964 Score: 0.728	m-mentha-4,6-dien-8-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB003063 Score: 0.725	Z-4-Hydroxymyrtenol metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB003064 Score: 0.725	E-4-Hydroxymyrtenol metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000358 Score: 0.701	Flavoxanthin precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663
PHUB000362 Score: 0.701	Lutein 5,6-epoxide precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663