LMPK12111504
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4083   -6.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4085   -7.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2043   -8.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001   -7.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001   -6.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2043   -6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7960   -8.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5918   -7.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5916   -6.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7958   -6.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7960   -9.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1986   -6.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0098   -6.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0095   -5.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1982   -4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -5.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2043   -9.0619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1982   -3.9811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2043   -5.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6127   -8.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -6.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5916   -4.9089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8055   -6.7642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8054   -4.9088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6714   -5.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6716   -6.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0704   -4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6125   -5.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7466   -7.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7256   -5.4089    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
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
  6 20  1  0  0  0  0
  2 21  1  0  0  0  0
  1 22  1  0  0  0  0
 15 25  1  0  0  0  0
 17 23  1  0  0  0  0
 14 24  1  0  0  0  0
 25 26  1  0     0  0
 24 27  1  0     0  0
 20 28  1  0     0  0
 22 29  1  0     0  0
 21 30  1  0     0  0
 23 31  1  0     0  0
M  END
> <LM_ID>
LMPK12111504

> <COMMON_NAME>
Agehoustin D

> <SYSTEMATIC_NAME>
5,3'-Dihydroxy-6,7,8,2',4',5'-hexamethoxyflavone

> <FORMULA>
C21H22O10

> <MASS>
434.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NZPHQXJGYPDNMC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O10/c1-25-12-7-9(16(26-2)15(24)17(12)27-3)11-8-10(22)13-14(23)19(28-4)21(30-6)20(29-5)18(13)31-11/h7-8,23-24H,1-6H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196626

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13914993

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 55598

> <CITATION>
-

$$$$