LMPK12020166
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    6.9212    8.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    7.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820    7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6429    7.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6429    8.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820    9.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5037    7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645    7.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645    8.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5037    9.0424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2251    9.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1024    8.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9798    9.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9798   10.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1024   10.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2251   10.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8569   10.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7820    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5037    6.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  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  5  1  0  0  0  0
  9 11  1  0  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
 14 17  1  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020166

> <COMMON_NAME>
Apiferol

> <SYSTEMATIC_NAME>
(2S)-3,4-Dihydro-2-(4-hydroxyphenyl)-2H-1-benzopyran-4,5,7-triol

> <FORMULA>
C15H14O5

> <MASS>
274.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Apiforol; Leucoapigeninidin

> <INCHI_KEY>
RPKUCYSGAXIESU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)CC(O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037232

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
185795

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4577

> <CITATION>
-

$$$$