LMPK12113160
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.8632    7.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8632    6.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5334    6.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2035    6.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2035    7.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5334    7.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8737    6.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5437    6.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5437    7.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8737    7.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8737    5.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2140    7.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8970    7.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5799    7.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5799    8.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8970    8.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2140    8.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5334    5.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2501    8.9748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    9.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2140    6.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2140    5.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5334    8.5731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5766    9.1754    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
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 22  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113160

> <COMMON_NAME>
Herbacetin 3,7,8-trimethyl ether

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-3,7,8-trimethoxyflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IUKBSFKDMZKGMT-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5748562

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$