LMPK12111985
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.5143    8.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5143    7.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3804    7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2465    7.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2465    8.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3804    9.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125    7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9787    7.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9787    8.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125    9.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1125    6.5805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8443    9.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7271    8.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6097    9.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6097   10.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7271   10.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8443   10.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8812    7.3832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3804    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4922   10.8889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6485    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6485    9.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4922    8.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3726    9.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2534    8.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1320    9.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2534    7.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7846    7.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9227    7.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9227    6.3661    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
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  2 21  1  0  0  0  0
  1 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111985

> <COMMON_NAME>
Glyasperin A

> <SYSTEMATIC_NAME>
3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XHCCZOWAHHBCAK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-13(2)5-7-15-11-16(8-10-18(15)26)25-24(30)23(29)21-20(31-25)12-19(27)17(22(21)28)9-6-14(3)4/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=C(C/C=C(\C)/C)C=3)=C(O)C(=O)C=2C(O)=C1C/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5481963

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74709

> <CITATION>
-

$$$$