LMPK12112589
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.1369    8.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1369    7.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9794    7.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8218    7.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8218    8.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9794    9.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6643    7.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5067    7.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5067    8.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6642    9.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6643    6.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3492    9.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2078    8.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0662    9.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0662   10.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2078   10.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3492   10.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3492    7.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9794    6.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9087   10.7201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112589

> <COMMON_NAME>
Rhamnocitrin

> <SYSTEMATIC_NAME>
3,4',5-Trihydroxy-7-methoxyflavone

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-Methylkaempferol; Kaempferol 7-O-methyl ether

> <INCHI_KEY>
MQSZRBPYXNEFHF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3

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

> <KEGG_ID>
C17059

> <HMDB_ID>
-

> <CHEBI_ID>
80897

> <ABBREVIATION>
-

> <CAYMAN_ID>
36272

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320946

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 149445

> <CITATION>
-

$$$$