LMPK12112994
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.2084    7.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2133    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9058    6.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5935    6.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5884    7.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959    7.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2858    6.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9734    6.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9684    7.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2758    7.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2908    5.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6559    7.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3618    7.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626    7.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0575    8.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3518    8.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6510    8.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6659    6.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9108    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3468    9.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7452    8.8782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4205    6.3586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852    7.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3735    8.8048    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
  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
  2 22  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112994

> <COMMON_NAME>
Eupatolitin

> <SYSTEMATIC_NAME>
3,3',4',5-tetrahydroxy-6,7-dimethoxyflavone

> <FORMULA>
C17H14O8

> <MASS>
346.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WYKWHSPRHPZRCR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O8/c1-23-11-6-10-12(14(21)17(11)24-2)13(20)15(22)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-19,21-22H,1-2H3

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
C17788

> <HMDB_ID>
-

> <CHEBI_ID>
81340

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317291

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$