LMPK12113289
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    5.8514    7.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8514    6.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5097    6.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1680    6.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1680    7.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5097    7.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8264    6.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847    6.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847    7.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8264    7.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8264    5.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1430    7.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8140    7.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4850    7.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4850    8.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8142    8.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1430    8.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5097    5.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5097    8.4640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1680    8.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8265    8.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1680    9.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847    8.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847   10.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1430    6.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1430    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8142    9.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8390   10.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1434    8.8586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1682    8.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  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
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  1 29  1  0  0  0  0
 15 31  1  0  0  0  0
  8 25  1  0  0  0  0
 16 27  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113289

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate

> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LGSBUEVZHHWMRT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-10(23)31-20-14(27-3)9-12(24)15-16(25)22(30-6)18(32-21(15)20)11-7-8-13(26-2)19(29-5)17(11)28-4/h7-9,24H,1-6H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260045

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$