LMPK12113068
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6233   -6.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6233   -6.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4357   -7.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2479   -6.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2479   -6.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4357   -5.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0603   -7.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8725   -6.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8725   -6.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0603   -5.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0603   -8.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6849   -5.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5128   -6.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3405   -5.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3405   -4.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5128   -4.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6849   -4.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4357   -8.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8725   -4.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6849   -7.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4357   -4.6163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8110   -5.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   -4.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3017   -4.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5509   -6.9303    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
 17 19  1  0  0  0  0
  8 20  1  0  0  0  0
  6 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0     0  0
 21 24  1  0     0  0
 20 25  1  0     0  0
M  END
> <LM_ID>
LMPK12113068

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,2'-Dihydroxy-3,7,8-trimethoxyflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SSSCWLSFMYTPNY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-12-8-11(20)13-14(21)18(24-3)15(25-17(13)16(12)23-2)9-6-4-5-7-10(9)19/h4-8,19-20H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10472651

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 41067

> <CITATION>
4775434

$$$$