LMPK12050445
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5663   10.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5663    9.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998    8.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334    9.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2334   10.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998   10.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0670    8.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007    9.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007   10.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0670   10.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7342    8.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7342    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6255    7.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5168    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5168    8.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6255    9.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0670    7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3998    7.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6255   10.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6255    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3505    7.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1730    7.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 16 20  2  0  0  0  0
 13 21  2  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050445

> <COMMON_NAME>
5-Hydroxybowdichione

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

> <FORMULA>
C16H10O7

> <MASS>
314.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XTAGXYXCZYACHC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H10O7/c1-22-13-5-10(18)8(4-11(13)19)9-6-23-14-3-7(17)2-12(20)15(14)16(9)21/h2-6,17,20H,1H3

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3C(=O)C=C(OC)C(=O)C=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491730

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1353443

> <CITATION>
3430167

$$$$