LMPK12113161
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.8696    7.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8696    6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5463    6.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2228    6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2228    7.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5463    7.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8993    6.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5759    6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5759    7.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8993    7.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8993    5.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524    7.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9418    7.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6314    7.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6314    8.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9418    9.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524    8.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5463    5.6531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5463    8.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524    6.4343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2524    5.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079    9.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1769    8.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 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
  6 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 22  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113161

> <COMMON_NAME>
Herbacetin 3,7,4'-trimethyl ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HCWCSSNXSRYCHO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-11(19)8-12(23-2)14(20)17(13)25-16/h4-8,19-20H,1-3H3

> <SMILES>
C1(OC)=C(O)C2OC(C3C=CC(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>
12898414

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$