LMPK12112516
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.3900   -5.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3900   -6.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9934   -6.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9934   -5.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -5.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7951   -7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966   -6.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966   -5.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7951   -5.4626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3984   -5.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2480   -5.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0975   -5.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0975   -4.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2480   -3.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3984   -4.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7951   -8.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -8.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8993   -5.9254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5966   -4.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3984   -7.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5881   -5.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8993   -4.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5882   -4.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3986   -8.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7653   -4.5187    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  2  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 13 19  1  0  0  0  0
 16 20  1  0  0  0  0
  8 21  1  0  0  0  0
  1 22  1  0  0  0  0
 14 23  1  0  0  0  0
 22 24  1  0     0  0
 21 25  1  0     0  0
 23 26  1  0     0  0
M  END
> <LM_ID>
LMPK12112516

> <COMMON_NAME>
Oxyayanin A

> <SYSTEMATIC_NAME>
5,2',5'-trihydroxy-3,7,4'-trimethoxyflavone

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
KGJTXYKKHKRNIM-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O8/c1-23-8-4-12(21)15-14(5-8)26-17(18(25-3)16(15)22)9-6-11(20)13(24-2)7-10(9)19/h4-7,19-21H,1-3H3

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

> <KEGG_ID>
C10115

> <HMDB_ID>
-

> <CHEBI_ID>
7854

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281676

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 162759

> <CITATION>
-

$$$$