LMPK12113386
  LIPID_MAPS_STRUCTURE_DATABASE

 33 35  0  0  0  0  0  0  0  0999 V2000
    7.1060    8.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1060    7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9174    7.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7289    7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7289    8.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9174    9.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5402    7.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3516    7.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3516    8.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5401    9.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5402    6.5821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1631    9.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9899    8.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8169    9.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8169   10.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9899   10.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1631   10.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6284   10.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6706   10.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9174   10.3301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1806   11.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6284    8.9245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4398    9.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3516   10.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3516   11.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9174    6.5821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7289    6.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1631    7.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1631    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.3156    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
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  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
 17 26  1  0  0  0  0
  3 28  1  0  0  0  0
  8 30  1  0  0  0  0
  2 32  1  0  0  0  0
 15 18  1  0  0  0  0
  1 20  1  0  0  0  0
  6 22  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113386

> <COMMON_NAME>
Purpurascenin

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

> <FORMULA>
C23H26O10

> <MASS>
462.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DWKFMLSGCLXYER-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H26O10/c1-25-12-10-14(27-3)13(26-2)9-11(12)17-20(29-5)16(24)15-18(28-4)21(30-6)23(32-8)22(31-7)19(15)33-17/h9-10H,1-8H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
340131

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 21861

> <CITATION>
-

$$$$