LMPK12110016
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0  0  0  0  0  0  0  0999 V2000
    8.8731    7.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8731    8.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9710    9.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9710    7.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7752    7.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6774    7.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6774    8.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7752    9.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5797    9.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4818    8.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3839    9.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3839   10.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4818   10.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5795   10.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7752    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0687    7.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0687    8.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543   10.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7184   10.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1780   11.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4038   11.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5017   11.4336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9454   12.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9413   12.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0491   11.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1528   12.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5699   12.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4865   12.1596    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 17  2  0  0  0  0
 16  4  2  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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  9  1  0  0  0  0
  5 15  2  0  0  0  0
 17 16  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110016

> <COMMON_NAME>
Semiglabrin

> <SYSTEMATIC_NAME>
(7aS,10R,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one

> <FORMULA>
C23H20O6

> <MASS>
392.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XTIQPKJOGKMOSY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H20O6/c1-12(24)26-21-19-18-16(28-22(19)29-23(21,2)3)10-9-14-15(25)11-17(27-20(14)18)13-7-5-4-6-8-13/h4-11,19,21-22H,1-3H3

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1C3C(OC(C)=O)C(C)(C)OC3OC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
353369

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$