LMPK12110871
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.2521    7.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2521    6.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    6.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6480    7.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    7.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459    5.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0438    6.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0438    7.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459    7.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3459    5.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    7.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4532    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1646    7.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1646    8.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4532    8.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    8.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    8.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625    8.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524    8.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2524    9.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    9.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5547    9.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4532    9.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3496    9.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625    7.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9492    7.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0  0
 28 29  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
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 22 25  1  0  0  0  0
 14 28  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110871

> <COMMON_NAME>
Baohuosu

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O7

> <MASS>
398.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGQYLXHJJYBZGT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H22O7/c1-11(2)5-6-13-14(23)9-15(24)20-16(25)10-17(29-22(13)20)12-7-18(27-3)21(26)19(8-12)28-4/h5,7-10,23-24,26H,6H2,1-4H3

> <SMILES>
C1(O)=C(C/C=C(/C)\C)C2OC(C3C=C(OC)C(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178244

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321664

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$