LMPK12113169
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8847    6.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8847    6.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    5.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    6.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    6.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    7.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9597    5.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6514    6.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6514    6.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9597    7.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9597    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3430    7.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0480    6.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7530    7.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7530    8.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0480    8.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3430    8.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3430    5.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5764    8.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    8.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    9.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9597    8.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4446    8.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3330    8.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 15 24  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113169

> <COMMON_NAME>
Herbacetin 7,4'-dimethyl ether 8-acetate

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H16O8

> <MASS>
372.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JMOATYWEVOXWOP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H16O8/c1-9(20)26-18-13(25-3)8-12(21)14-15(22)16(23)17(27-19(14)18)10-4-6-11(24-2)7-5-10/h4-8,21,23H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188161

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259971

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$