LMPK12111606
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.5760    9.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5760    8.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193    7.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627    8.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627    9.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193    9.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1060    7.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9494    8.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9494    9.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1060    9.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1060    6.9026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7928    9.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6524    9.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5120    9.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5120   10.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6524   11.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7928   10.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3554   11.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6524   12.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193   10.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7928    7.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7928    6.3606    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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111606

> <COMMON_NAME>
Transilitin

> <SYSTEMATIC_NAME>
3',4',7,8-Tetrahydroxy-3-methoxyflavone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-methylquercetin

> <INCHI_KEY>
WGIWCQHSJILTOY-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
192962

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258702

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2844931

> <CITATION>
-

$$$$