ISISHOST03240423292D 1   1.00000     0.00000 12659

 30 32  0     1  0            999 V2000
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    3.9010   -5.8116    0.0000 C   0  0  2  0  0  0           0  0  0
    3.1955   -5.3969    0.0000 O   0  0  0  0  0  0           0  0  0
    3.8966   -6.6343    0.0000 C   0  0  1  0  0  0           0  0  0
    2.4785   -5.8032    0.0000 C   0  0  1  0  0  0           0  0  0
    3.1808   -7.0388    0.0000 C   0  0  2  0  0  0           0  0  0
    4.6051   -7.0506    0.0000 O   0  0  0  0  0  0           0  0  0
    2.4712   -6.6242    0.0000 C   0  0  2  0  0  0           0  0  0
    1.7731   -5.3886    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1765   -7.8615    0.0000 O   0  0  0  0  0  0           0  0  0
    1.7584   -7.0305    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0641   -5.7919    0.0000 O   0  0  0  0  0  0           0  0  0
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    4.0247   -3.1323    0.0000 C   0  0  1  0  0  0           0  0  0
    4.7336   -4.3647    0.0000 C   0  0  1  0  0  0           0  0  0
    3.2461   -4.1991    0.0000 C   0  0  2  0  0  0           0  0  0
    4.7336   -2.7226    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2461   -2.8806    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4426   -3.9550    0.0000 O   0  0  0  0  0  0           0  0  0
    2.7717   -3.5385    0.0000 C   0  0  2  0  0  0           0  0  0
    5.4426   -3.1323    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7336   -1.9000    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8283   -4.1991    0.0000 O   0  0  0  0  0  0           0  0  0
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    6.1480   -1.9034    0.0000 C   0  0  0  0  0  0           0  0  0
    4.0178   -4.7742    0.0000 H   0  0  0  0  0  0           0  0  0
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    1.9467   -3.5377    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5292   -4.6042    0.0000 C   0  0  0  0  0  0           0  0  0
  4  7  1  6     0  0
  5  8  1  0     0  0
  5  9  1  1     0  0
  6 10  1  1     0  0
  8 11  1  6     0  0
  6  8  1  0     0  0
  9 12  1  0     0  0
  2  1  1  1     0  0
  2  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
 13 14  1  0     0  0
 13 15  1  0     0  0
 13 16  1  0     0  0
 14 17  1  0     0  0
 14 18  1  0     0  0
 15 19  1  0     0  0
 16 20  1  0     0  0
 17 21  2  0     0  0
 17 22  1  0     0  0
 30 23  1  0     0  0
 22 24  1  0     0  0
 22 25  2  0     0  0
 24 26  1  0     0  0
 18 20  1  0     0  0
 19 21  1  0     0  0
 13 27  1  1     0  0
 14 28  1  1     0  0
 15  1  1  1     0  0
 20 29  1  1     0  0
  4  6  1  0     0  0
 16 30  1  1     0  0
M  END
> <ID>
CHEBI:705

> <NAME>
10-Hydroxyloganin

> <STAR>
2

> <SYNONYM>
10-Hydroxyloganin

> <FORMULA>
C17H26O11

> <MASS>
406.382

> <MONOISOTOPIC_MASS>
406.14751

> <CHARGE>
0

> <SMILES>
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)[C@@H](O)C[C@H]12

> <INCHI>
InChI=1S/C17H26O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-7,9-14,16-23H,2-4H2,1H3/t6-,7+,9+,10-,11+,12-,13+,14-,16+,17+/m1/s1

> <INCHIKEY>
GTEDLLYKAJRTNK-UMHDANERSA-N

> <KEGG_COMPOUND_ACCESSION>
C11659

$$$$