LMPK12113305
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    9.4029   -6.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4024   -7.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2377   -7.9549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0734   -7.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0739   -6.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2387   -6.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9088   -7.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7445   -7.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7451   -6.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9097   -6.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9084   -8.9206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5807   -6.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4320   -6.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2839   -6.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2844   -5.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4331   -4.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5812   -5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2372   -8.9198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4037   -4.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -3.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5680   -5.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7326   -4.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8969   -5.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1507   -4.5450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0165   -5.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6103   -7.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6097   -8.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361   -7.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6704   -7.4710    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 15 27  1  0     0  0
 27 28  1  0     0  0
  8 29  1  0     0  0
 29 30  1  0     0  0
  2 31  1  0     0  0
 31 32  1  0     0  0
M  END
> <LM_ID>
LMPK12113305

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7,8-Trihydroxy-3,6,4'-trimethoxy-flavone 8-isovalerate

> <FORMULA>
C23H24O9

> <MASS>
444.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PVQRYAUIDUWRKS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H24O9/c1-11(2)10-14(24)31-23-18(27)21(29-4)16(25)15-17(26)22(30-5)19(32-20(15)23)12-6-8-13(28-3)9-7-12/h6-9,11,25,27H,10H2,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260053

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 176537

> <CITATION>
-

$$$$