LMPK12111231
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.5760    8.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5760    7.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193    7.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627    7.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627    8.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193    9.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    7.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9495    7.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9495    8.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    9.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7927    9.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6524    8.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5119    9.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5119   10.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6524   10.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7927   10.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3553   10.7616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6524   11.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.7982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111231

> <COMMON_NAME>
Pedalitin

> <SYSTEMATIC_NAME>
3',4',5,6-Tetrahydroxy-7-methoxyflavone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QWUHUBDKQQPMQG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1O

> <KEGG_ID>
C10119

> <HMDB_ID>
HMDB0030804

> <CHEBI_ID>
7947

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
31161

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 446055

> <CITATION>
-

$$$$