LMPK12113332
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.0154    8.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0080    7.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8270    7.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6539    7.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6615    8.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8423    9.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4733    7.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3000    7.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3076    8.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4882    9.2116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4657    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1345    9.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9694    8.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8122    9.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8201   10.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9852   10.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1423   10.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1194    7.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8195    6.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9927   11.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6470   10.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5401    9.5794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1847    8.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1277    7.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9254   10.1716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2666   10.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 24  1  0  0  0  0
  6 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113332

> <COMMON_NAME>


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

> <FORMULA>
C18H16O9

> <MASS>
376.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OFGHNZOBBMHLFF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O9/c1-24-16-12(22)10-11(21)13(23)14(7-4-5-8(19)9(20)6-7)27-15(10)17(25-2)18(16)26-3/h4-6,19-20,22-23H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
180428

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260067

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 23012

> <CITATION>
-

$$$$