LMPK12112506
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.6000    8.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6000    7.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678    7.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3354    7.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3354    8.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678    9.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2032    7.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0708    7.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0708    8.8650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2032    9.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2032    6.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9382    9.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8227    8.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7069    9.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7069   10.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8227   10.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9382   10.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9382    7.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5909    8.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8227   11.9184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5909   10.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4587   10.3964    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
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112506

> <COMMON_NAME>
Mearnsetin

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

> <FORMULA>
C16H12O8

> <MASS>
332.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(3,5-Dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
HKEQVXVLTOSXLQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196346

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10359384

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 139012

> <CITATION>
-

$$$$