LMPK12111484
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.7845    6.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7845    7.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0485    7.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    7.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    6.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0485    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5204    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2565    6.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2565    7.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5204    7.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9925    7.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7284    7.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4644    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4644    8.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7284    9.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9924    8.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5204    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2004    9.0718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2004    7.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6725    6.1527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6562    7.7510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0485    5.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0485    8.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0335    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9363    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  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
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
  5 20  1  0  0  0  0
  4 21  1  0  0  0  0
  6 22  1  0  0  0  0
  3 23  1  0  0  0  0
 20 24  1  0  0  0  0
 19 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111484

> <COMMON_NAME>
Isothymonin

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

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CSDGLNFYKPCMSZ-UHFFFAOYSA-N

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

> <SMILES>
C12C(=O)C=C(C3C=CC(O)=C(OC)C=3)OC=1C(O)=C(OC)C(OC)=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11726019

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$