LMPK12113001
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.5542    8.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5542    7.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    7.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1975    7.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1975    8.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    9.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0191    7.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8408    7.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8408    8.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0191    9.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0191    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6624    9.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998    8.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    9.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372   10.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998   10.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6624   10.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998   11.6059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6624    7.3092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9415    8.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1587   10.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2140   10.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  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 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
  1 21  1  0  0  0  0
  8 23  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113001

> <COMMON_NAME>
Oxyayanin-B

> <SYSTEMATIC_NAME>
5,6,3'-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>


> <INCHI_KEY>
UQBUUCDVKDSHCE-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1O

> <KEGG_ID>
C10116

> <HMDB_ID>
HMDB0130256

> <CHEBI_ID>
7855

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442621

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 162759

> <CITATION>
-

$$$$