LMPK12100023
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0  0  0  0            999 V2000
   10.8987   -5.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544   -5.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6096   -5.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6096   -6.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4966   -7.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3838   -6.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3838   -5.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4966   -5.2243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8991   -6.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544   -7.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4966   -8.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6462   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6462   -9.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4966  -10.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3471   -9.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3471   -8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2701   -5.2246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544   -8.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544   -4.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8987   -3.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431   -5.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8987   -2.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6096   -3.7608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431   -4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0437   -7.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0437   -8.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8991   -8.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1723   -9.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4585   -9.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878   -3.7606    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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
 10 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21  1  1  0  0  0  0
 20 22  1  4  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
  9 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 18  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 21  1  0  0  0  0
 24 30  1  4  0  0  0
M  END
> <LM_ID>
LMPK12100023

> <COMMON_NAME>
Inophyllum E

> <SYSTEMATIC_NAME>
rel-(10R*,11S*)-10,11-Dihydro-6,6,10,11-tetramethyl-4-phenyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b"]tripyran-2,12-dione

> <FORMULA>
C25H22O5

> <MASS>
402.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
cis-and-trans-Inophyllolide

> <INCHI_KEY>
YRHQANFINIANSK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H22O5/c1-13-14(2)28-22-16-10-11-25(3,4)30-23(16)19-17(15-8-6-5-7-9-15)12-18(26)29-24(19)20(22)21(13)27/h5-14H,1-4H3

> <SMILES>
C12OC(C)C(C)C(=O)C=1C1OC(=O)C=C(C3C=CC=CC=3)C=1C1OC(C)(C)C=CC2=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188173

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5254

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 158927

> <CITATION>
-

$$$$