LMPK12020022
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.7422    6.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7422    7.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0129    7.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2837    7.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2837    6.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0129    5.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4713    5.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2006    6.3249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2006    7.1669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4713    7.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9299    7.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6161    7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3024    7.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3025    8.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6161    8.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9299    8.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6161    9.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6161    6.3497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0085    5.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0129    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  4 17  1  0  0  0  0
 18 15  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  1  6  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020022

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(2R-cis)-2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

> <FORMULA>
C15H14O6

> <MASS>
290.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
INFSVMACOKVKOV-UKRRQHHQSA-N

> <INCHI>
InChI=1S/C15H14O6/c16-7-1-2-11(18)10(3-7)15-13(20)6-9-12(19)4-8(17)5-14(9)21-15/h1-5,13,15-20H,6H2/t13-,15-/m1/s1

> <SMILES>
C12C[C@@H](O)[C@@H](C3C=C(O)C=CC=3O)OC=1C=C(O)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193340

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257054

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$