LMPK12112730
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.5680    9.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5680    8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4032    7.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2386    8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2386    9.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4032    9.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0739    7.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9092    8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9092    9.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0739    9.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0739    6.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7444    9.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5957    9.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4471    9.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4471   10.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5957   11.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7444   10.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5957   12.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2824   11.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7444    7.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7444    6.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4032    6.9800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4760    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  8 21  1  0  0  0  0
  3 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112730

> <COMMON_NAME>
Caryatin

> <SYSTEMATIC_NAME>
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,5-dimethoxy-4H-1-benzopyran-4-one

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,5-Di-O-Methylquercetin

> <INCHI_KEY>
AOFQCVDYMNHCKD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-12-6-9(18)7-13-14(12)15(21)17(23-2)16(24-13)8-3-4-10(19)11(20)5-8/h3-7,18-20H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037351

> <CHEBI_ID>
174457

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5489501

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3790

> <CITATION>
-

$$$$