LMPK12110425
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.6978    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    8.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6991    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6991    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    8.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5116    8.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9813    9.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  6 18  1  0  0  0  0
  4 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110425

> <COMMON_NAME>
Yinyanghuo C

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H16O5

> <MASS>
336.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GPXYBBZISZKRAH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)17-10-15(23)19-14(22)8-13(21)9-18(19)24-17/h3-10,21-22H,1-2H3

> <SMILES>
C12C(=O)C=C(C3C=CC4OC(C)(C)C=CC=4C=3)OC=1C=C(O)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196358

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5315395

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$