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C10H12N4O5
APtclcactv08042321142D 0   0.00000     0.00000
 
 31 33  0  0  1  0  0  0  0  0999 V2000
    5.5259   -0.0732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4775    0.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4792    1.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5287    1.5449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.4030   -3.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855   -0.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2892    1.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395    0.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -1.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -2.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861   -0.2047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3794   -0.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9165    1.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    2.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11 17  1  0  0  0  0
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 20 23  2  0  0  0  0
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  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$
C10H12N4O5
APtclcactv08042321142D 0   0.00000     0.00000
 
 31 33  0  0  1  0  0  0  0  0999 V2000
    4.9889    0.0818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9405    0.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9423    1.3892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    1.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    2.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7523    1.9756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    3.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2619   -1.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.1734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6783   -2.4782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3795    1.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    3.1407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    2.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 22  1  0  0  0  0
 22 23  2  0  0  0  0
  1 12  1  0  0  0  0
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 19 24  1  0  0  0  0
  1 18  1  0  0  0  0
  1  2  1  0  0  0  0
 13 23  1  0  0  0  0
  2  3  1  0  0  0  0
 20 22  1  0  0  0  0
  4 18  1  0  0  0  0
  5 21  1  0  0  0  0
  5 20  2  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  1  0  0  0
  3 16  1  1  0  0  0
  4  6  1  6  0  0  0
  6 17  1  0  0  0  0
 23 24  1  0  0  0  0
  3  4  1  0  0  0  0
 13 21  2  0  0  0  0
  1 25  1  1  0  0  0
  7 24  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
 11 17  1  0  0  0  0
  8 14  1  0  0  0  0
M  END
$$$$
C10H12N4O5
APtclcactv08042321142D 0   0.00000     0.00000
 
 31 33  0  0  1  0  0  0  0  0999 V2000
    4.9889   -0.0732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9405    0.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9423    1.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    1.5449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6844    2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.2225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3154   -0.1038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    1.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1642    3.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485   -0.3550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7523    1.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4025    0.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3795    1.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3035    2.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    2.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 17  1  0  0  0  0
  1 11  1  0  0  0  0
 11 21  2  0  0  0  0
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 17 22  1  0  0  0  0
 18 24  1  0  0  0  0
 16 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1  2  1  0  0  0  0
 21 24  1  0  0  0  0
  4 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  1  0  0  0
 16 23  1  0  0  0  0
 12 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  1  0  0  0
 20 23  2  0  0  0  0
  4  5  1  6  0  0  0
 20 22  1  0  0  0  0
  5 15  1  0  0  0  0
  1 25  1  1  0  0  0
  6 24  1  0  0  0  0
  2 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 28  1  0  0  0  0
  7 22  1  0  0  0  0
 20 29  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
$$$$
C10H12N4O5
APtclcactv08042321142D 0   0.00000     0.00000
 
 31 33  0  0  1  0  0  0  0  0999 V2000
    5.9405    0.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9889   -0.0732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9423    1.2342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9917    1.5449    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6844    2.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -0.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1642    3.8284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3548    3.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4025    0.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.8284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8463    1.8467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3035    2.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1364    2.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 19  1  0  0  0  0
  4 19  1  0  0  0  0
  1 13  1  1  0  0  0
  6 13  1  0  0  0  0
  3 14  1  1  0  0  0
  8 14  1  0  0  0  0
  5 15  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 21 24  1  0  0  0  0
 11 24  1  0  0  0  0
  7 24  1  0  0  0  0
 17 22  1  0  0  0  0
 20 22  1  0  0  0  0
  9 22  1  0  0  0  0
 18 21  2  0  0  0  0
 16 23  1  0  0  0  0
 20 23  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  2 25  1  1  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  6  0  0  0
  4 28  1  0  0  0  0
 11 17  2  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
 17 18  1  0  0  0  0
 16 18  1  0  0  0  0
 20 31  1  0  0  0  0
M  END
$$$$

MOL SMILES InChIKey

Chemistry
Reaction

Compound Description

NA

Identification

IUPAC Names

(1S)-1,4-anhydro-1-(7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-D-ribitol

Molecular Formula

C10H12N4O5

Mass

268.22624

Monoisotopic Mass

268.08077

Charge

InChI

InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1

InChIKey

MTCJZZBQNCXKAP-KSYZLYKTSA-N

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1n[nH]c2c1[nH]cnc2=O

Synonyms

FORMYCIN B

Laurusin

Ohyamycin

Species

WikiPathways
Reactome Pathways

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Select Pathways

Select Species

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Select Reaction

Select NMR spectra

Select MS spectra

MTBLC42654: formycin B

NA

Identification

Species

Europe PubMed Central results

Connect to another EMBL location

MTBLC42654: formycin B

NA

Identification

Species

Europe PubMed Central results