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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 01:10:37 UTC

Update Date

2021-09-24 01:10:37 UTC

HMDB ID

HMDB0303342

Secondary Accession Numbers

None

Metabolite Identification

Common Name

2-Hydroxypropyl starch

Description

HYDROXYPROPYLSTARCH belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Based on a literature review a small amount of articles have been published on HYDROXYPROPYLSTARCH.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1533007131513502D          

 53 56  0  0  0  0            999 V2000
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8908    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5408    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 23 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24 13  1  0  0  0  0
 24 22  1  0  0  0  0
 25 14  1  0  0  0  0
 25 17  1  0  0  0  0
 26 15  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 20  1  0  0  0  0
 29 21  1  0  0  0  0
 30 27  1  0  0  0  0
 31  2  1  0  0  0  0
 31  9  1  0  0  0  0
 31 10  1  0  0  0  0
 32  5  1  0  0  0  0
 33  6  1  0  0  0  0
 34  7  1  0  0  0  0
 35  9  1  0  0  0  0
 36 16  1  0  0  0  0
 37 17  1  0  0  0  0
 38 18  1  0  0  0  0
 39 19  1  0  0  0  0
 40 20  1  0  0  0  0
 41 21  1  0  0  0  0
 42 22  1  0  0  0  0
 43 31  1  0  0  0  0
 44  3  1  0  0  0  0
 44 23  1  0  0  0  0
 45  4  1  0  0  0  0
 45 24  1  0  0  0  0
 46  8  1  0  0  0  0
 46 28  1  0  0  0  0
 47 10  1  0  0  0  0
 47 27  1  0  0  0  0
 48 11  1  0  0  0  0
 48 14  1  0  0  0  0
 49 12  1  0  0  0  0
 49 28  1  0  0  0  0
 50 13  1  0  0  0  0
 50 30  1  0  0  0  0
 51 15  1  0  0  0  0
 51 29  1  0  0  0  0
 52 25  1  0  0  0  0
 52 29  1  0  0  0  0
 53 26  1  0  0  0  0
 53 30  1  0  0  0  0
M  END

HMDB0303342
     RDKit          3D
2-Hydroxypropyl starch
109112  0  0  0  0  0  0  0  0999 V2000
    0.3235    2.6370   -6.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111    2.2570   -5.8684 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    1.5505   -4.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537    2.3120   -3.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891    3.7163   -3.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902    3.6910   -3.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717    1.7192   -2.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905    0.4352   -2.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -0.2034   -1.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4993   -0.4754   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805   -1.2798    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1674   -2.5195    0.1975 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1102   -2.6141    0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288   -3.8078    0.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779   -3.6717   -0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646   -4.3343   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9194   -3.4941    0.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3810   -3.1254    2.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171   -5.5138    0.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796   -6.4380   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120   -7.3771    0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2412   -5.9630   -1.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -6.8074   -2.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773   -4.5238   -1.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3222   -4.3275   -2.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046   -2.3787    2.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595   -3.5523    2.9063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0630   -1.7105    2.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360   -2.5395    2.8135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672   -0.5895    1.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    0.2416    2.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923    1.5001    2.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1844    1.6788    3.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160    1.7911    4.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7827    2.9319    5.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908    2.6934    6.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056    1.8006    3.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4267    2.8445    3.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7137    2.3686    3.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487    2.0180    1.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8781    2.8457    0.9225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6117    2.5487    1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324    3.7882    2.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9694    4.8059    1.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794    4.7633    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7946    6.1592    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    4.6814    2.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    3.7855    0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860    4.1136   -0.2217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -0.4445   -3.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113   -1.6599   -3.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7265    0.1915   -4.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    0.3681   -5.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243    3.1812   -7.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221    1.7577   -7.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791    3.3186   -6.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394    1.4405   -4.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7403    2.4152   -3.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612    4.1660   -4.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6323    4.3317   -2.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215    4.6121   -3.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1485    0.4975   -2.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090    0.5215   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474   -0.9151   -1.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9170   -1.4196    0.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6937   -1.8177    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0134   -2.6550   -0.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6591   -4.4904   -1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336   -4.1146    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3310   -2.6276    0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054   -2.1778    2.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8913   -7.0859   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272   -6.8870    1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8538   -8.3137    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253   -7.5794    0.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1638   -6.1124   -1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342   -6.7715   -3.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038   -4.1447   -2.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9504   -4.6458   -3.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722   -1.7104    2.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1528   -3.4393    3.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401   -1.1801    3.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9730   -3.0782    3.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -0.0395    1.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810    1.5793    2.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275    0.8654    4.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8570    2.9564    5.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4101    3.9060    4.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6837    2.3476    7.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1461    0.8639    3.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1082    1.8276    2.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3687    3.2016    3.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7034    1.6201    4.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9951    1.0368    1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0990    2.4462    0.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299    2.4922    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4855    4.8352    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782    5.8196    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086    6.0790   -0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848    6.9259    1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835    6.2878    0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    4.2083    3.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632    2.7478    0.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565    3.8312   -0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8844    3.8257    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6886   -0.5995   -2.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523   -2.3529   -3.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826   -0.4516   -5.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1846    0.6208   -6.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
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 53109  1  0
M  END


  Mrv1533007131513502D          

 53 56  0  0  0  0            999 V2000
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8908    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5408    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 23 12  1  0  0  0  0
 23 18  1  0  0  0  0
 24 13  1  0  0  0  0
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 25 14  1  0  0  0  0
 25 17  1  0  0  0  0
 26 15  1  0  0  0  0
 26 19  1  0  0  0  0
 27 22  1  0  0  0  0
 28 20  1  0  0  0  0
 29 21  1  0  0  0  0
 30 27  1  0  0  0  0
 31  2  1  0  0  0  0
 31  9  1  0  0  0  0
 31 10  1  0  0  0  0
 32  5  1  0  0  0  0
 33  6  1  0  0  0  0
 34  7  1  0  0  0  0
 35  9  1  0  0  0  0
 36 16  1  0  0  0  0
 37 17  1  0  0  0  0
 38 18  1  0  0  0  0
 39 19  1  0  0  0  0
 40 20  1  0  0  0  0
 41 21  1  0  0  0  0
 42 22  1  0  0  0  0
 43 31  1  0  0  0  0
 44  3  1  0  0  0  0
 44 23  1  0  0  0  0
 45  4  1  0  0  0  0
 45 24  1  0  0  0  0
 46  8  1  0  0  0  0
 46 28  1  0  0  0  0
 47 10  1  0  0  0  0
 47 27  1  0  0  0  0
 48 11  1  0  0  0  0
 48 14  1  0  0  0  0
 49 12  1  0  0  0  0
 49 28  1  0  0  0  0
 50 13  1  0  0  0  0
 50 30  1  0  0  0  0
 51 15  1  0  0  0  0
 51 29  1  0  0  0  0
 52 25  1  0  0  0  0
 52 29  1  0  0  0  0
 53 26  1  0  0  0  0
 53 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303342

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1C(O)C(O)C(OCC2OC(OC3C(O)C(O)C(C)OC3CO)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OCC(C)(O)CO)OC1CO

> <INCHI_IDENTIFIER>
InChI=1S/C31H56O22/c1-11-16(36)17(37)25(14(7-34)48-11)52-29-21(41)19(39)26(15(51-29)8-46-28-20(40)18(38)23(44-3)12(5-32)49-28)53-30-27(47-10-31(2,43)9-35)22(42)24(45-4)13(6-33)50-30/h11-30,32-43H,5-10H2,1-4H3

> <INCHI_KEY>
VYIPQJQYDCRXMM-UHFFFAOYSA-N

> <FORMULA>
C31H56O22

> <MOLECULAR_WEIGHT>
780.767

> <EXACT_MASS>
780.326323443

> <JCHEM_ACCEPTOR_COUNT>
22

> <JCHEM_ATOM_COUNT>
109

> <JCHEM_AVERAGE_POLARIZABILITY>
76.63357995973385

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-[(5-{[3-(2,3-dihydroxy-2-methylpropoxy)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-3,4-dihydroxyoxan-2-yl)oxy]-6-(hydroxymethyl)-2-methyloxane-3,4-diol

> <ALOGPS_LOGP>
-2.46

> <JCHEM_LOGP>
-6.574727963333334

> <ALOGPS_LOGS>
-0.67

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.330511100317587

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.86823266487254

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4425217786085724

> <JCHEM_POLAR_SURFACE_AREA>
335.0600000000001

> <JCHEM_REFRACTIVITY>
167.69880000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.68e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-[(5-{[3-(2,3-dihydroxy-2-methylpropoxy)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-3,4-dihydroxyoxan-2-yl)oxy]-6-(hydroxymethyl)-2-methyloxane-3,4-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0303342
     RDKit          3D
2-Hydroxypropyl starch
109112  0  0  0  0  0  0  0  0999 V2000
    0.3235    2.6370   -6.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111    2.2570   -5.8684 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    1.5505   -4.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537    2.3120   -3.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891    3.7163   -3.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902    3.6910   -3.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717    1.7192   -2.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905    0.4352   -2.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -0.2034   -1.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4993   -0.4754   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805   -1.2798    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1674   -2.5195    0.1975 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1102   -2.6141    0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288   -3.8078    0.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779   -3.6717   -0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646   -4.3343   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9194   -3.4941    0.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3810   -3.1254    2.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171   -5.5138    0.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796   -6.4380   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120   -7.3771    0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2412   -5.9630   -1.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -6.8074   -2.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773   -4.5238   -1.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3222   -4.3275   -2.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046   -2.3787    2.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595   -3.5523    2.9063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0630   -1.7105    2.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360   -2.5395    2.8135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3672   -0.5895    1.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    0.2416    2.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923    1.5001    2.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1844    1.6788    3.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160    1.7911    4.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7827    2.9319    5.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908    2.6934    6.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056    1.8006    3.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4267    2.8445    3.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7137    2.3686    3.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487    2.0180    1.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8781    2.8457    0.9225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6117    2.5487    1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324    3.7882    2.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9694    4.8059    1.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794    4.7633    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7946    6.1592    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    4.6814    2.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    3.7855    0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860    4.1136   -0.2217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -0.4445   -3.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113   -1.6599   -3.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7265    0.1915   -4.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    0.3681   -5.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243    3.1812   -7.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221    1.7577   -7.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3791    3.3186   -6.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394    1.4405   -4.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7403    2.4152   -3.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2612    4.1660   -4.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6323    4.3317   -2.8526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6215    4.6121   -3.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1485    0.4975   -2.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0090    0.5215   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0474   -0.9151   -1.7545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9170   -1.4196    0.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6937   -1.8177    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0134   -2.6550   -0.8387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6591   -4.4904   -1.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336   -4.1146    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3310   -2.6276    0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054   -2.1778    2.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8913   -7.0859   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272   -6.8870    1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8538   -8.3137    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3253   -7.5794    0.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1638   -6.1124   -1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342   -6.7715   -3.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038   -4.1447   -2.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9504   -4.6458   -3.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722   -1.7104    2.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1528   -3.4393    3.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401   -1.1801    3.5945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9730   -3.0782    3.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -0.0395    1.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1810    1.5793    2.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275    0.8654    4.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8570    2.9564    5.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4101    3.9060    4.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6837    2.3476    7.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1461    0.8639    3.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1082    1.8276    2.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3687    3.2016    3.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7034    1.6201    4.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9951    1.0368    1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0990    2.4462    0.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299    2.4922    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4855    4.8352    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782    5.8196    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086    6.0790   -0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848    6.9259    1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835    6.2878    0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    4.2083    3.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632    2.7478    0.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3565    3.8312   -0.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8844    3.8257    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6886   -0.5995   -2.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523   -2.3529   -3.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826   -0.4516   -5.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1846    0.6208   -6.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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 53109  1  0
M  END

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -9.129  10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.668  16.170   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -16.004   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  13.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -12.003   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.668   8.470   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -10.669  12.320   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -10.669   9.240   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.001  13.090   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -12.003   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668   6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.668  13.090   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -13.337   6.160   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.335  13.860   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -13.337   4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -8.002   6.160   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -12.003   6.930   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -10.669   6.160   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -10.669  10.780   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -1.334  13.090   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0     -10.669   1.540   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -0.000   1.540   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0     -12.003  13.090   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -8.002  13.860   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -9.336   3.850   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -8.002  10.780   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -6.668   2.310   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0     -14.670   6.930   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0     -12.209  10.780   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -5.335  15.400   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0     -14.670   3.850   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -5.335   9.240   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0     -12.003   8.470   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      -4.001  11.550   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0     -10.669   4.620   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      -5.335   6.160   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      -9.336   6.930   0.000  0.00  0.00           O+0
CONECT    1   11                                                            
CONECT    2   31                                                            
CONECT    3   44                                                            
CONECT    4   45                                                            
CONECT    5   12   32                                                       
CONECT    6   13   33                                                       
CONECT    7   14   34                                                       
CONECT    8   15   46                                                       
CONECT    9   31   35                                                       
CONECT   10   31   47                                                       
CONECT   11    1   16   48                                                  
CONECT   12    5   23   49                                                  
CONECT   13    6   24   50                                                  
CONECT   14    7   25   48                                                  
CONECT   15    8   26   51                                                  
CONECT   16   11   17   36                                                  
CONECT   17   16   25   37                                                  
CONECT   18   20   23   38                                                  
CONECT   19   21   26   39                                                  
CONECT   20   18   28   40                                                  
CONECT   21   19   29   41                                                  
CONECT   22   24   27   42                                                  
CONECT   23   12   18   44                                                  
CONECT   24   13   22   45                                                  
CONECT   25   14   17   52                                                  
CONECT   26   15   19   53                                                  
CONECT   27   22   30   47                                                  
CONECT   28   20   46   49                                                  
CONECT   29   21   51   52                                                  
CONECT   30   27   50   53                                                  
CONECT   31    2    9   10   43                                             
CONECT   32    5                                                            
CONECT   33    6                                                            
CONECT   34    7                                                            
CONECT   35    9                                                            
CONECT   36   16                                                            
CONECT   37   17                                                            
CONECT   38   18                                                            
CONECT   39   19                                                            
CONECT   40   20                                                            
CONECT   41   21                                                            
CONECT   42   22                                                            
CONECT   43   31                                                            
CONECT   44    3   23                                                       
CONECT   45    4   24                                                       
CONECT   46    8   28                                                       
CONECT   47   10   27                                                       
CONECT   48   11   14                                                       
CONECT   49   12   28                                                       
CONECT   50   13   30                                                       
CONECT   51   15   29                                                       
CONECT   52   25   29                                                       
CONECT   53   26   30                                                       
MASTER        0    0    0    0    0    0    0    0   53    0  112    0
END

COMPND    HMDB0303342
HETATM    1  C1  UNL     1       0.323   2.637  -6.617  1.00  0.00           C  
HETATM    2  O1  UNL     1       1.411   2.257  -5.868  1.00  0.00           O  
HETATM    3  C2  UNL     1       1.044   1.551  -4.700  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.654   2.312  -3.535  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.089   3.716  -3.564  1.00  0.00           C  
HETATM    6  O2  UNL     1      -0.290   3.691  -3.402  1.00  0.00           O  
HETATM    7  O3  UNL     1       1.372   1.719  -2.337  1.00  0.00           O  
HETATM    8  C5  UNL     1       0.891   0.435  -2.399  1.00  0.00           C  
HETATM    9  O4  UNL     1       0.808  -0.203  -1.154  1.00  0.00           O  
HETATM   10  C6  UNL     1      -0.499  -0.475  -0.881  1.00  0.00           C  
HETATM   11  C7  UNL     1      -0.781  -1.280   0.348  1.00  0.00           C  
HETATM   12  O5  UNL     1      -0.167  -2.519   0.197  1.00  0.00           O  
HETATM   13  C8  UNL     1       1.110  -2.614   0.717  1.00  0.00           C  
HETATM   14  O6  UNL     1       1.729  -3.808   0.339  1.00  0.00           O  
HETATM   15  C9  UNL     1       2.778  -3.672  -0.533  1.00  0.00           C  
HETATM   16  C10 UNL     1       4.065  -4.334  -0.072  1.00  0.00           C  
HETATM   17  C11 UNL     1       4.919  -3.494   0.803  1.00  0.00           C  
HETATM   18  O7  UNL     1       4.381  -3.125   2.008  1.00  0.00           O  
HETATM   19  O8  UNL     1       3.717  -5.514   0.520  1.00  0.00           O  
HETATM   20  C12 UNL     1       3.080  -6.438  -0.249  1.00  0.00           C  
HETATM   21  C13 UNL     1       2.312  -7.377   0.669  1.00  0.00           C  
HETATM   22  C14 UNL     1       2.241  -5.963  -1.375  1.00  0.00           C  
HETATM   23  O9  UNL     1       2.354  -6.807  -2.508  1.00  0.00           O  
HETATM   24  C15 UNL     1       2.377  -4.524  -1.761  1.00  0.00           C  
HETATM   25  O10 UNL     1       3.322  -4.328  -2.771  1.00  0.00           O  
HETATM   26  C16 UNL     1       1.205  -2.379   2.201  1.00  0.00           C  
HETATM   27  O11 UNL     1       1.460  -3.552   2.906  1.00  0.00           O  
HETATM   28  C17 UNL     1      -0.063  -1.711   2.646  1.00  0.00           C  
HETATM   29  O12 UNL     1      -1.136  -2.539   2.814  1.00  0.00           O  
HETATM   30  C18 UNL     1      -0.367  -0.589   1.608  1.00  0.00           C  
HETATM   31  O13 UNL     1      -1.323   0.242   2.126  1.00  0.00           O  
HETATM   32  C19 UNL     1      -0.892   1.500   2.518  1.00  0.00           C  
HETATM   33  O14 UNL     1      -1.184   1.679   3.862  1.00  0.00           O  
HETATM   34  C20 UNL     1      -2.516   1.791   4.151  1.00  0.00           C  
HETATM   35  C21 UNL     1      -2.783   2.932   5.148  1.00  0.00           C  
HETATM   36  O15 UNL     1      -2.091   2.693   6.346  1.00  0.00           O  
HETATM   37  C22 UNL     1      -3.506   1.801   3.067  1.00  0.00           C  
HETATM   38  O16 UNL     1      -4.427   2.844   3.332  1.00  0.00           O  
HETATM   39  C23 UNL     1      -5.714   2.369   3.508  1.00  0.00           C  
HETATM   40  C24 UNL     1      -3.049   2.018   1.664  1.00  0.00           C  
HETATM   41  O17 UNL     1      -3.878   2.846   0.922  1.00  0.00           O  
HETATM   42  C25 UNL     1      -1.612   2.549   1.680  1.00  0.00           C  
HETATM   43  O18 UNL     1      -1.532   3.788   2.192  1.00  0.00           O  
HETATM   44  C26 UNL     1      -0.969   4.806   1.496  1.00  0.00           C  
HETATM   45  C27 UNL     1       0.479   4.763   1.200  1.00  0.00           C  
HETATM   46  C28 UNL     1       0.795   6.159   0.556  1.00  0.00           C  
HETATM   47  O19 UNL     1       1.295   4.681   2.355  1.00  0.00           O  
HETATM   48  C29 UNL     1       0.947   3.786   0.167  1.00  0.00           C  
HETATM   49  O20 UNL     1       2.286   4.114  -0.222  1.00  0.00           O  
HETATM   50  C30 UNL     1       1.696  -0.445  -3.349  1.00  0.00           C  
HETATM   51  O21 UNL     1       1.011  -1.660  -3.431  1.00  0.00           O  
HETATM   52  C31 UNL     1       1.726   0.192  -4.702  1.00  0.00           C  
HETATM   53  O22 UNL     1       3.076   0.368  -5.044  1.00  0.00           O  
HETATM   54  H1  UNL     1       0.724   3.181  -7.511  1.00  0.00           H  
HETATM   55  H2  UNL     1      -0.222   1.758  -7.054  1.00  0.00           H  
HETATM   56  H3  UNL     1      -0.379   3.319  -6.117  1.00  0.00           H  
HETATM   57  H4  UNL     1      -0.039   1.441  -4.601  1.00  0.00           H  
HETATM   58  H5  UNL     1       2.740   2.415  -3.740  1.00  0.00           H  
HETATM   59  H6  UNL     1       1.261   4.166  -4.588  1.00  0.00           H  
HETATM   60  H7  UNL     1       1.632   4.332  -2.853  1.00  0.00           H  
HETATM   61  H8  UNL     1      -0.621   4.612  -3.344  1.00  0.00           H  
HETATM   62  H9  UNL     1      -0.148   0.497  -2.799  1.00  0.00           H  
HETATM   63  H10 UNL     1      -1.009   0.522  -0.725  1.00  0.00           H  
HETATM   64  H11 UNL     1      -1.047  -0.915  -1.754  1.00  0.00           H  
HETATM   65  H12 UNL     1      -1.917  -1.420   0.331  1.00  0.00           H  
HETATM   66  H13 UNL     1       1.694  -1.818   0.216  1.00  0.00           H  
HETATM   67  H14 UNL     1       3.013  -2.655  -0.839  1.00  0.00           H  
HETATM   68  H15 UNL     1       4.659  -4.490  -1.026  1.00  0.00           H  
HETATM   69  H16 UNL     1       5.834  -4.115   1.036  1.00  0.00           H  
HETATM   70  H17 UNL     1       5.331  -2.628   0.226  1.00  0.00           H  
HETATM   71  H18 UNL     1       4.605  -2.178   2.180  1.00  0.00           H  
HETATM   72  H19 UNL     1       3.891  -7.086  -0.703  1.00  0.00           H  
HETATM   73  H20 UNL     1       2.127  -6.887   1.651  1.00  0.00           H  
HETATM   74  H21 UNL     1       2.854  -8.314   0.866  1.00  0.00           H  
HETATM   75  H22 UNL     1       1.325  -7.579   0.207  1.00  0.00           H  
HETATM   76  H23 UNL     1       1.164  -6.112  -1.060  1.00  0.00           H  
HETATM   77  H24 UNL     1       1.534  -6.771  -3.040  1.00  0.00           H  
HETATM   78  H25 UNL     1       1.404  -4.145  -2.166  1.00  0.00           H  
HETATM   79  H26 UNL     1       2.950  -4.646  -3.623  1.00  0.00           H  
HETATM   80  H27 UNL     1       2.072  -1.710   2.401  1.00  0.00           H  
HETATM   81  H28 UNL     1       2.153  -3.439   3.602  1.00  0.00           H  
HETATM   82  H29 UNL     1       0.140  -1.180   3.594  1.00  0.00           H  
HETATM   83  H30 UNL     1      -0.973  -3.078   3.628  1.00  0.00           H  
HETATM   84  H31 UNL     1       0.577  -0.040   1.481  1.00  0.00           H  
HETATM   85  H32 UNL     1       0.181   1.579   2.354  1.00  0.00           H  
HETATM   86  H33 UNL     1      -2.727   0.865   4.784  1.00  0.00           H  
HETATM   87  H34 UNL     1      -3.857   2.956   5.421  1.00  0.00           H  
HETATM   88  H35 UNL     1      -2.410   3.906   4.776  1.00  0.00           H  
HETATM   89  H36 UNL     1      -2.684   2.348   7.060  1.00  0.00           H  
HETATM   90  H37 UNL     1      -4.146   0.864   3.082  1.00  0.00           H  
HETATM   91  H38 UNL     1      -6.108   1.828   2.620  1.00  0.00           H  
HETATM   92  H39 UNL     1      -6.369   3.202   3.821  1.00  0.00           H  
HETATM   93  H40 UNL     1      -5.703   1.620   4.341  1.00  0.00           H  
HETATM   94  H41 UNL     1      -2.995   1.037   1.148  1.00  0.00           H  
HETATM   95  H42 UNL     1      -4.099   2.446   0.024  1.00  0.00           H  
HETATM   96  H43 UNL     1      -1.230   2.492   0.666  1.00  0.00           H  
HETATM   97  H44 UNL     1      -1.485   4.835   0.471  1.00  0.00           H  
HETATM   98  H45 UNL     1      -1.278   5.820   1.908  1.00  0.00           H  
HETATM   99  H46 UNL     1       0.409   6.079  -0.475  1.00  0.00           H  
HETATM  100  H47 UNL     1       0.285   6.926   1.153  1.00  0.00           H  
HETATM  101  H48 UNL     1       1.883   6.288   0.508  1.00  0.00           H  
HETATM  102  H49 UNL     1       0.750   4.208   3.042  1.00  0.00           H  
HETATM  103  H50 UNL     1       1.063   2.748   0.549  1.00  0.00           H  
HETATM  104  H51 UNL     1       0.356   3.831  -0.757  1.00  0.00           H  
HETATM  105  H52 UNL     1       2.884   3.826   0.540  1.00  0.00           H  
HETATM  106  H53 UNL     1       2.689  -0.599  -2.923  1.00  0.00           H  
HETATM  107  H54 UNL     1       1.652  -2.353  -3.735  1.00  0.00           H  
HETATM  108  H55 UNL     1       1.283  -0.452  -5.479  1.00  0.00           H  
HETATM  109  H56 UNL     1       3.185   0.621  -6.006  1.00  0.00           H  
CONECT    1    2   54   55   56
CONECT    2    3
CONECT    3    4   52   57
CONECT    4    5    7   58
CONECT    5    6   59   60
CONECT    6   61
CONECT    7    8
CONECT    8    9   50   62
CONECT    9   10
CONECT   10   11   63   64
CONECT   11   12   30   65
CONECT   12   13
CONECT   13   14   26   66
CONECT   14   15
CONECT   15   16   24   67
CONECT   16   17   19   68
CONECT   17   18   69   70
CONECT   18   71
CONECT   19   20
CONECT   20   21   22   72
CONECT   21   73   74   75
CONECT   22   23   24   76
CONECT   23   77
CONECT   24   25   78
CONECT   25   79
CONECT   26   27   28   80
CONECT   27   81
CONECT   28   29   30   82
CONECT   29   83
CONECT   30   31   84
CONECT   31   32
CONECT   32   33   42   85
CONECT   33   34
CONECT   34   35   37   86
CONECT   35   36   87   88
CONECT   36   89
CONECT   37   38   40   90
CONECT   38   39
CONECT   39   91   92   93
CONECT   40   41   42   94
CONECT   41   95
CONECT   42   43   96
CONECT   43   44
CONECT   44   45   97   98
CONECT   45   46   47   48
CONECT   46   99  100  101
CONECT   47  102
CONECT   48   49  103  104
CONECT   49  105
CONECT   50   51   52  106
CONECT   51  107
CONECT   52   53  108
CONECT   53  109
END

HMDB0303342
     RDKit          3D
2-Hydroxypropyl starch
109112  0  0  0  0  0  0  0  0999 V2000
    0.3235    2.6370   -6.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111    2.2570   -5.8684 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    1.5505   -4.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537    2.3120   -3.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891    3.7163   -3.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902    3.6910   -3.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717    1.7192   -2.3370 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905    0.4352   -2.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -0.2034   -1.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4993   -0.4754   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7805   -1.2798    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1674   -2.5195    0.1975 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1102   -2.6141    0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288   -3.8078    0.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779   -3.6717   -0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0646   -4.3343   -0.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9194   -3.4941    0.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3810   -3.1254    2.0079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171   -5.5138    0.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0796   -6.4380   -0.2494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120   -7.3771    0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2412   -5.9630   -1.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -6.8074   -2.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773   -4.5238   -1.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3222   -4.3275   -2.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046   -2.3787    2.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595   -3.5523    2.9063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0630   -1.7105    2.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360   -2.5395    2.8135 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3229    0.2416    2.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8923    1.5001    2.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1844    1.6788    3.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5160    1.7911    4.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7827    2.9319    5.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908    2.6934    6.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056    1.8006    3.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4267    2.8445    3.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7137    2.3686    3.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487    2.0180    1.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8781    2.8457    0.9225 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6117    2.5487    1.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324    3.7882    2.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9694    4.8059    1.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794    4.7633    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7946    6.1592    0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    4.6814    2.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9471    3.7855    0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2860    4.1136   -0.2217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -0.4445   -3.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113   -1.6599   -3.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7265    0.1915   -4.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    0.3681   -5.0439 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243    3.1812   -7.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221    1.7577   -7.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8913   -7.0859   -0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8538   -8.3137    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1638   -6.1124   -1.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1082    1.8276    2.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3687    3.2016    3.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7034    1.6201    4.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2299    2.4922    0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4855    4.8352    0.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782    5.8196    1.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086    6.0790   -0.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848    6.9259    1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8835    6.2878    0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7502    4.2083    3.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632    2.7478    0.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6886   -0.5995   -2.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523   -2.3529   -3.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826   -0.4516   -5.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1846    0.6208   -6.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
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M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₃₁H₅₆O₂₂

Average Molecular Weight

780.767

Monoisotopic Molecular Weight

780.326323443

IUPAC Name

5-[(5-{[3-(2,3-dihydroxy-2-methylpropoxy)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-3,4-dihydroxyoxan-2-yl)oxy]-6-(hydroxymethyl)-2-methyloxane-3,4-diol

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1C(O)C(O)C(OCC2OC(OC3C(O)C(O)C(C)OC3CO)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OCC(C)(O)CO)OC1CO

InChI Identifier

InChI=1S/C31H56O22/c1-11-16(36)17(37)25(14(7-34)48-11)52-29-21(41)19(39)26(15(51-29)8-46-28-20(40)18(38)23(44-3)12(5-32)49-28)53-30-27(47-10-31(2,43)9-35)22(42)24(45-4)13(6-33)50-30/h11-30,32-43H,5-10H2,1-4H3

InChI Key

VYIPQJQYDCRXMM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
Glycosyl compound
O-glycosyl compound
Glycerolipid
Oxane
Tertiary alcohol
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Ether
Dialkyl ether
Primary alcohol
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.5	ALOGPS
logP	-6.6	ChemAxon
logS	-0.67	ALOGPS
pKa (Strongest Acidic)	11.87	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	22	ChemAxon
Hydrogen Donor Count	12	ChemAxon
Polar Surface Area	335.06 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	167.7 m³·mol⁻¹	ChemAxon
Polarizability	76.63 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	260.785	32859911
AllCCS	[M+H-H2O]+	260.777	32859911
AllCCS	[M+Na]+	260.725	32859911
AllCCS	[M+NH4]+	260.745	32859911
AllCCS	[M-H]-	278.793	32859911
AllCCS	[M+Na-2H]-	282.388	32859911
AllCCS	[M+HCOO]-	286.44	32859911
DeepCCS	[M+H]+	256.374	30932474
DeepCCS	[M-H]-	254.479	30932474
DeepCCS	[M-2H]-	287.718	30932474
DeepCCS	[M+Na]+	261.988	30932474

Predicted Kovats Retention Indices

Not Available

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 10V, Positive-QTOF	splash10-01ta-0900331600-20bbce9c4910bd282622	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 20V, Positive-QTOF	splash10-01t9-1902220100-2c900f007f45945b0170	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 40V, Positive-QTOF	splash10-01t9-2901111100-e2f2607a97dea90a34c7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 10V, Negative-QTOF	splash10-004i-2900044700-9dac544475471ff46bee	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 20V, Negative-QTOF	splash10-004i-3900112300-df6b52ab6398a6ded98f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 40V, Negative-QTOF	splash10-004i-4910010000-ddc45310f09f7f16afa5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 10V, Positive-QTOF	splash10-01qa-0120000900-ea8498c375d4683001d5	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 20V, Positive-QTOF	splash10-03ea-3410123900-87414f568610561c286e	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 40V, Positive-QTOF	splash10-006t-9410016100-6dda077f06d0ec1ad624	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 10V, Negative-QTOF	splash10-004i-0000003900-9e07356f3dbaf7d55b70	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 20V, Negative-QTOF	splash10-08i3-5100018900-ac4d0640e9d4a827bbdc	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-Hydroxypropyl starch 40V, Negative-QTOF	splash10-052f-9400025200-34d2bb78ef1dbae12e24	2021-10-21	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB011421

KNApSAcK ID

Not Available

Chemspider ID

21258156

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

24847857

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for 2-Hydroxypropyl starch (HMDB0303342)

MOL for HMDB0303342 (2-Hydroxypropyl starch)

3D MOL for HMDB0303342 (2-Hydroxypropyl starch)

3D SDF for HMDB0303342 (2-Hydroxypropyl starch)

3D-SDF for HMDB0303342 (2-Hydroxypropyl starch)

PDB for HMDB0303342 (2-Hydroxypropyl starch)

3D PDB for HMDB0303342 (2-Hydroxypropyl starch)

SMILES for HMDB0303342 (2-Hydroxypropyl starch)

INCHI for HMDB0303342 (2-Hydroxypropyl starch)

Structure for HMDB0303342 (2-Hydroxypropyl starch)

3D Structure for HMDB0303342 (2-Hydroxypropyl starch)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

MS/MS Spectra