LMPK12111316
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.5247    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2566    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2566    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    9.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1226    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9885    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8546    9.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8546   10.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9885   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1226   10.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    9.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9885    7.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8546    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586   10.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925   10.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  6 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111316

> <COMMON_NAME>
Andrographin

> <SYSTEMATIC_NAME>
5-Hydroxy-2',7,8-trimethoxyflavone

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Skullcapflavone I 2'-methyl ether

> <INCHI_KEY>
AJMNTEFGXPRZHG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-21-13-7-5-4-6-10(13)14-8-11(19)16-12(20)9-15(22-2)17(23-3)18(16)24-14/h4-9,20H,1-3H3

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3OC)OC=1C(OC)=C(OC)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318506

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2566155

> <CITATION>
12608871

$$$$