LMPK12113081
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.8040    8.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8040    7.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5123    7.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2207    7.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2207    8.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5123    8.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0958    7.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875    7.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792    7.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875    5.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0958    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710    7.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2627    7.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2627    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710    5.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3875    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8040    5.8178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9547    8.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5123    6.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3051    9.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6280    8.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3051    9.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9499   10.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   11.0794    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
 13 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113081

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7,8-Trihydroxy-3-methoxyflavone 8-((E)-2-methylbut-2-enoate)

> <FORMULA>
C21H18O7

> <MASS>
382.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RRKFFDGUNSJFHI-NYYWCZLTSA-N

> <INCHI>
InChI=1S/C21H18O7/c1-4-11(2)21(25)28-18-14(23)10-13(22)15-16(24)20(26-3)17(27-19(15)18)12-8-6-5-7-9-12/h4-10,22-23H,1-3H3/b11-4+

> <SMILES>
C1C=CC=CC=1C1=C(OC)C(=O)C2C(O)=CC(O)=C(OC(/C(=C/C)/C)=O)C=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10429974

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$