LMPK12112697
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2425    7.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2425    6.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    6.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6188    6.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6188    7.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    8.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069    6.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950    6.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950    7.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069    8.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069    5.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    8.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3845    7.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0859    8.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0859    8.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3845    9.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    8.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    5.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    6.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    5.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7740    9.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6578    8.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112697

> <COMMON_NAME>
Ermanin

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-3,4'-dimethoxyflavone

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Kaempferol 3,4'-di-O-methyl ether

> <INCHI_KEY>
RJCJVIFSIXKSAH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3

> <SMILES>
C1(O)=CC2OC(C3C=CC(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
146142

> <ABBREVIATION>
-

> <CAYMAN_ID>
37535

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5352001

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$