LMPK12111503
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.4104   -6.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104   -7.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1854   -7.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9604   -7.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9604   -6.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1854   -6.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7357   -7.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5106   -7.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5106   -6.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7356   -6.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7357   -8.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2858   -6.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0756   -6.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8656   -6.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8656   -5.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0756   -4.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2858   -5.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1854   -8.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6555   -4.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4959   -4.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6205   -6.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6205   -7.8681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1854   -5.1578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6555   -6.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3194   -9.2716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7545   -7.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6204   -5.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0514   -4.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4959   -3.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5215   -5.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6556   -7.5257    0.0000 C   0  0  0  0  0  0  0  0  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 22  1  0  0  0  0
  6 23  1  0  0  0  0
 14 24  1  0  0  0  0
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
  1 21  1  0  0  0  0
 18 25  1  0     0  0
 22 26  1  0     0  0
 21 27  1  0     0  0
 23 28  1  0     0  0
 20 29  1  0     0  0
 19 30  1  0     0  0
 24 31  1  0     0  0
M  END
> <LM_ID>
LMPK12111503

> <COMMON_NAME>
Agecorynin C

> <SYSTEMATIC_NAME>
5,6,7,8,2',4',5'-Heptamethoxyflavone

> <FORMULA>
C22H24O9

> <MASS>
432.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GQZBZQRNQGILGI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O9/c1-24-13-10-16(26-3)15(25-2)8-11(13)14-9-12(23)17-18(27-4)20(28-5)22(30-7)21(29-6)19(17)31-14/h8-10H,1-7H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C(OC)=CC(OC)=C(OC)C=3)=CC(=O)C=2C(OC)=C1OC

> <KEGG_ID>
C14942

> <HMDB_ID>
-

> <CHEBI_ID>
79466

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
256420

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2653732

> <CITATION>
-

$$$$