44187798
  CDK     0829231231

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.0063   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352    1.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    1.9841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5638   -1.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939   -0.5108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5787   -1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208    0.7466    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7208   -0.0784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0063    1.1591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2918    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    1.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543   -0.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    0.7638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068   -0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497   -1.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0 
  1 11  1  0  0  0  0 
  7  2  1  1  0  0  0 
  9  3  1  1  0  0  0 
  4 14  1  0  0  0  0 
  5 18  1  0  0  0  0 
  6 21  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 12  1  1  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 10 13  1  0  0  0  0 
 11 14  1  0  0  0  0 
 12 15  2  0  0  0  0 
 12 16  1  0  0  0  0 
 13 17  2  0  0  0  0 
 14 18  2  0  0  0  0 
 15 19  1  0  0  0  0 
 16 20  2  0  0  0  0 
 17 18  1  0  0  0  0 
 19 21  2  0  0  0  0 
 20 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:196282

> <NAME>
Epioritin-4alpha-ol

> <STAR>
2

> <IUPAC_NAME>
(2R,3R,4R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7,8-tetrol

> <FORMULA>
C15H14O6

> <MASS>
290.271

> <MONOISOTOPIC_MASS>
290.07904

> <CHARGE>
0

> <SMILES>
O1[C@@H]([C@H](O)[C@H](O)C2=C1C(O)=C(O)C=C2)C3=CC=C(O)C=C3

> <INCHI>
InChI=1S/C15H14O6/c16-8-3-1-7(2-4-8)14-13(20)11(18)9-5-6-10(17)12(19)15(9)21-14/h1-6,11,13-14,16-20H/t11-,13-,14-/m1/s1

> <INCHIKEY>
JSZRJOLRIBESNT-MRVWCRGKSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12020187

$$$$