LMPK12120508
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.9955    7.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8538    6.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7121    7.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7121    8.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8538    8.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9955    8.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6691    6.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5589    7.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    6.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3382    7.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1840    6.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0298    7.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0298    8.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1840    8.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3382    8.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6691    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8538    6.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4273    9.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9681    9.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9692    9.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9779    9.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4829   10.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9779   11.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9681   11.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4632   10.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5017   12.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   13.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5394   12.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.0508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6716   10.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 29 30  1  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  1  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120508

> <COMMON_NAME>
Adunctin D

> <SYSTEMATIC_NAME>
rel-(+)-1-[(1'R,4'R)-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-NIYFSFCBSA-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-/m1/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>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607689

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 130377

> <CITATION>
-

$$$$