LMPK12140398
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.5940    8.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5940    7.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    7.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3177    7.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3177    8.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    9.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1795    7.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413    7.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413    8.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1795    9.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9028    9.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7812    8.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6594    9.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6594   10.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7812   10.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9028   10.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1795    6.2131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7812   11.5807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5374   10.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5374    8.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4138    9.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2900    8.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1643    9.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2900    7.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0247   10.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0247   11.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1483   12.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1483   13.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2740   11.5795    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 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>
LMPK12140398

> <COMMON_NAME>
Sigmoidin A

> <SYSTEMATIC_NAME>
2-[3,4-Dihydroxy-2,5-bis (3-methyl-2-butenyl)phenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C25H28O6

> <MASS>
424.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BVHLNRAYBCPKOY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H28O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)24(15)29)21-12-20(28)23-19(27)10-16(26)11-22(23)31-21/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4303225

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1977555

> <CITATION>
-

$$$$