LMPK12140699
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.8418   -6.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8418   -7.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209   -8.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5999   -7.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5999   -6.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209   -6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4788   -8.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3578   -7.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3578   -6.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4788   -6.0343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2364   -6.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1321   -6.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0279   -6.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0279   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1321   -4.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2364   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4788   -8.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209   -9.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1321   -7.3890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1321   -3.7714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9234   -4.4829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8023   -4.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9759   -6.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9760   -5.0415    0.0000 C   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  1  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  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 12 19  2  0  0  0  0
 15 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0     0  0
 23 24  1  0     0  0
M  END
> <LM_ID>
LMPK12140699

> <COMMON_NAME>
Remerin

> <SYSTEMATIC_NAME>
(-)-2-(3,4-Dihydro-5-hydroxy-7-methoxy-4-oxo-2H-1-benzopyran-2-yl)-5-methoxy-2,5-cyclohexadiene-1,4-dione

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KFCYIBRFUHBOJZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-8-3-12(20)17-13(21)7-14(24-16(17)4-8)9-5-11(19)15(23-2)6-10(9)18/h3-6,14,20H,7H2,1-2H3

> <SMILES>
C1(OC)=CC2OC(C3=CC(=O)C(OC)=CC3=O)CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608134

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167995

> <CITATION>
-

$$$$