LMPK12111403
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.0887    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0887    8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8829    7.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6771    8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6771    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8829    9.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4711    7.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2652    8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2652    8.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4711    9.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4711    6.6494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594    9.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8686    8.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6779    9.4003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6779   10.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8686   10.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0594   10.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8686   11.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1047   12.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4720   10.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7082   10.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8829   10.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1190   11.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8829    6.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9028    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  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
 26 27  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
 16 18  1  0  0  0  0
  1 20  1  0  0  0  0
 15 22  1  0  0  0  0
  6 24  1  0  0  0  0
  3 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111403

> <COMMON_NAME>
Isosinensetin

> <SYSTEMATIC_NAME>
5,7,8,3',4'-Pentamethoxyflavone

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-Demethoxynobiletin

> <INCHI_KEY>
UYCWETIUOAGWIL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037599

> <CHEBI_ID>
175779

> <ABBREVIATION>
-

> <CAYMAN_ID>
36009

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
632135

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43166

> <CITATION>
-

$$$$