LMPK12111502
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.4410   -7.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4382   -8.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2171   -8.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9989   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0017   -7.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2227   -6.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7778   -8.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5596   -8.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5624   -7.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7833   -6.7198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7749   -9.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3442   -6.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1379   -7.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9348   -6.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9378   -5.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1439   -5.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3471   -5.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2143   -9.4184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2257   -5.7150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5764   -6.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5706   -8.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7061   -8.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5795   -5.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0933   -5.2176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4827   -5.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8055   -5.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7992   -7.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4858   -4.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699   -5.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7960   -8.2324    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
  6 19  1  0     0  0
  1 20  1  0     0  0
  2 21  1  0     0  0
 21 22  1  0     0  0
 20 23  1  0     0  0
 19 24  1  0     0  0
 17 25  1  0     0  0
 15 26  1  0     0  0
 14 27  1  0     0  0
 25 28  1  0     0  0
 26 29  1  0     0  0
 27 30  1  0     0  0
M  END
> <LM_ID>
LMPK12111502

> <COMMON_NAME>
Agehoustin E

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

> <FORMULA>
C21H22O9

> <MASS>
418.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WEZNCEOIPZBRTB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H22O9/c1-24-12-9-15(26-3)14(25-2)7-10(12)13-8-11(22)16-17(23)19(27-4)21(29-6)20(28-5)18(16)30-13/h7-9,23H,1-6H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13939319

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 55598

> <CITATION>
-

$$$$