LMPK12050501
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    6.9162   10.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9162    9.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7716    9.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6272    9.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6272   10.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7716   11.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4827    9.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3384    9.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3384   10.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4827   11.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   11.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4827    8.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1938    9.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1938    8.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9872    7.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7806    8.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7806    9.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9872    9.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7716    8.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3384    7.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6359    7.7702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6359    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050501

> <COMMON_NAME>
Ferreirin

> <SYSTEMATIC_NAME>
2,3-Dihydro-5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CBEPNYOFLRIAGR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3

> <SMILES>
C1(O)=CC2OCC(C3=CC=C(OC)C=C3O)C(=O)C=2C(O)=C1

> <KEGG_ID>
C10419

> <HMDB_ID>
HMDB0031657

> <CHEBI_ID>
5018

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442771

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3160729

> <CITATION>
-

$$$$