LMPK12113087
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.0340   -3.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0340   -4.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521   -4.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700   -4.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6700   -3.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521   -2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4881   -4.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3060   -4.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3060   -3.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4881   -2.9109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4881   -5.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1242   -2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9579   -3.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7915   -2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7915   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9579   -1.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1242   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521   -5.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3060   -1.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6095   -3.3831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521   -1.9663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2160   -2.9109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3060   -0.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4744   -0.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1379   -0.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1242   -4.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2159   -1.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7181   -1.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1242   -5.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  2  0  0  0  0
 23 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
  3 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 23  1  0  0  0  0
 14 20  1  0  0  0  0
  8 26  1  0  0  0  0
  6 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 27  1  0     0  0
 21 28  1  0     0  0
 26 29  1  0     0  0
M  END
> <LM_ID>
LMPK12113087

> <COMMON_NAME>
5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone 2'-acetate

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O9

> <MASS>
402.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QLXHITSYJNILTR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O9/c1-26-13-8-12(22)15-16(25)20(28-3)17(29-19(15)18(13)27-2)11-7-10(21)5-4-9(11)6-14(23)24/h4-5,7-8,21-22H,6H2,1-3H3,(H,23,24)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259911

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 414628

> <CITATION>
-

$$$$