LMPK12113309
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.1270   -6.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268   -6.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9484   -7.4559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7700   -6.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7701   -6.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9485   -5.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5918   -7.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4132   -6.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4134   -6.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5918   -5.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5918   -8.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2350   -5.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0723   -6.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9096   -5.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9096   -4.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0723   -4.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2350   -4.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3054   -5.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9484   -8.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7313   -4.1171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2350   -7.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9485   -4.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3053   -7.4559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8146   -4.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4393   -6.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2351   -8.4560    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
  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  8 21  1  0  0  0  0
  6 22  1  0  0  0  0
  2 23  1  0  0  0  0
 22 24  1  0     0  0
 23 25  1  0     0  0
 21 26  1  0     0  0
M  END
> <LM_ID>
LMPK12113309

> <COMMON_NAME>
Sarothrin

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-3,6,8-trimethoxyflavone

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KHZSFBNUQVEEQR-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=C(OC)C2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0137995

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5386960

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2603409

> <CITATION>
-

$$$$