LMPK12110061
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.5542    8.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5444    7.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    7.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1974    7.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2073    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3859    9.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0189    7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8505    7.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8603    8.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0389    9.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0089    6.4488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6920    9.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5293    8.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3767    9.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3869   10.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5497   10.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7023   10.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2033    9.7540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4899    9.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1984    7.0168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9655    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5497   11.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6113   12.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
  1 18  1  0  0  0  0
 16 23  1  0  0  0  0
  2 21  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110061

> <COMMON_NAME>
Grantionin

> <SYSTEMATIC_NAME>
7-hydroxy-6,3',5'-trimethoxyflavone

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(3,5-Dimethoxyphenyl)-7-hydroxy-6-methoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
XEVXJBGZWXMMBZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-21-11-4-10(5-12(6-11)22-2)16-8-14(19)13-7-18(23-3)15(20)9-17(13)24-16/h4-9,20H,1-3H3

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)C=C(OC)C=3)=CC(=O)C=2C=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14861188

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2052343

> <CITATION>
-

$$$$