LMPK12111232
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.2502    7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2502    6.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    5.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417    6.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6417    7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    7.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375    5.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0333    6.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0333    7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375    7.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3375    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7290    7.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4382    7.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1473    7.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1473    8.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4382    8.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7290    8.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8431    8.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4382    9.4418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5213   10.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111232

> <COMMON_NAME>
Nodifloretin

> <SYSTEMATIC_NAME>
4',5,6,7-Tetrahydroxy-3'-methoxyflavone

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Batatifolin

> <INCHI_KEY>
OZVBXGBZPZBKJO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-12-4-7(2-3-8(12)17)11-5-9(18)14-13(23-11)6-10(19)15(20)16(14)21/h2-6,17,19-21H,1H3

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0130318

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320181

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$