LMPK12112875
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.8902   -5.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8902   -6.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7026   -7.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5149   -6.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5149   -5.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7026   -5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3272   -7.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1396   -6.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1396   -5.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3272   -5.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3272   -8.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9518   -5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7798   -5.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6078   -5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6078   -4.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7798   -3.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9518   -4.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9518   -7.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4201   -3.9214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0780   -7.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0780   -5.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7026   -8.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0780   -4.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2120   -6.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8366   -8.6603    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
  8 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
  1 21  1  0  0  0  0
  3 22  1  0  0  0  0
 21 23  1  0     0  0
 20 24  1  0     0  0
 22 25  1  0     0  0
M  END
> <LM_ID>
LMPK12112875

> <COMMON_NAME>
Candidol

> <SYSTEMATIC_NAME>
3,4'-Dihydroxy-5,6,7-trimeoxyflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QWPGGRVLMOVFDM-UHFFFAOYSA-N

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

> <SMILES>
C1(OC)=CC2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(OC)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259771

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 587868

> <CITATION>
-

$$$$