LMPK12050481
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
   10.1659   13.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1659   12.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0285   11.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8910   12.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8910   13.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0285   13.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7536   11.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6161   12.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6161   13.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7536   13.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4784   11.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4784   10.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4006    9.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3229   10.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3229   11.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4006   12.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7536   10.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5571    9.9695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0285   10.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2451    9.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3034   13.5582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3036   11.5663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3036   10.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922   10.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    9.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6817    8.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6817    7.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8713    7.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8713    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6250   10.6050    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
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  7 17  2  0  0  0  0
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 14  1  0  0  0  0
 21  1  1  0  0  0  0
  2 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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 24 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050481

> <COMMON_NAME>
Lespedeol A

> <SYSTEMATIC_NAME>
3-(2,4-Dihydroxyphenyl)-6-(3,7-dimethyl-2,6-octadienyl)-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>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FXULBICJYGBORJ-VIZOYTHASA-N

> <INCHI>
InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-18-21(28)12-22-23(24(18)29)25(30)19(13-31-22)17-10-8-16(26)11-20(17)27/h5,7-8,10-12,19,26-29H,4,6,9,13H2,1-3H3/b15-7+

> <SMILES>
C1(O)=CC2OCC(C3=CC=C(O)C=C3O)C(=O)C=2C(O)=C1C/C=C(\C)/CC/C=C(\C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257386

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 701537

> <CITATION>
-

$$$$