LMPK12120507
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.1895   -9.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0484   -9.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8937   -9.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8800   -8.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0210   -7.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1758   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7526   -9.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5980   -9.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4570   -9.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3022   -9.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1487   -9.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9816   -9.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9680   -8.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1216   -7.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2886   -8.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7663  -10.7036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0621  -10.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5800   -7.5358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1119   -6.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1223   -6.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1123   -6.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5551   -5.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9974   -4.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9969   -4.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542   -5.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4318   -3.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8845   -3.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4137   -3.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3029   -7.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2890   -6.7914    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  1  1  0  0  0  0
  3  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 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  5  1  0  0  0  0
 19 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 19 25  1  6  0  0  0
 23 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0     0  0
 29 30  1  0     0  0
M  END
> <LM_ID>
LMPK12120507

> <COMMON_NAME>
Adunctin C

> <SYSTEMATIC_NAME>
rel-(-)-1-[(1'R,4'S)-6-Hydroxy-4-methoxy-4'-(1-methylethyl)spiro[benzofuran-2(3H),1'-[2]cyclohexen]-7-yl]-3-phenyl-1-propanone

> <FORMULA>
C26H30O4

> <MASS>
406.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NVHLTNASIPVGQS-AFMDSPMNSA-N

> <INCHI>
InChI=1S/C26H30O4/c1-17(2)19-11-13-26(14-12-19)16-20-23(29-3)15-22(28)24(25(20)30-26)21(27)10-9-18-7-5-4-6-8-18/h4-8,11,13,15,17,19,28H,9-10,12,14,16H2,1-3H3/t19-,26+/m0/s1

> <SMILES>
C1C(OC)=C2C[C@]3(C=C[C@H](C(C)C)CC3)OC2=C(C(=O)CCC2C=CC=CC=2)C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186476

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607688

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 130377

> <CITATION>
-

$$$$