LMPK12140058
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.7357    8.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7586    7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7203    7.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5306    7.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482    8.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6501    9.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4649    7.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2986    7.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2871    8.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4410    9.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1714    9.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0265    8.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9069    9.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9321   10.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0514   10.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1600   10.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4649    6.2638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7051   10.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6896    8.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5196    9.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4345    8.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4345    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2730    9.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6443   10.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6601   10.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8067   10.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7833    9.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0867   10.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.7950    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
  9 11  1  6  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
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27  1  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140058

> <COMMON_NAME>
Shinflavanone

> <SYSTEMATIC_NAME>
(2S)-4'-Hydroxy-3'-prenyl-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone

> <FORMULA>
C25H26O4

> <MASS>
390.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NEIURIYDQMKXIG-QHCPKHFHSA-N

> <INCHI>
InChI=1S/C25H26O4/c1-15(2)5-6-16-13-17(7-9-20(16)26)23-14-21(27)18-8-10-22-19(24(18)28-23)11-12-25(3,4)29-22/h5,7-13,23,26H,6,14H2,1-4H3/t23-/m0/s1

> <SMILES>
C12OC(C)(C)C=CC=1C1O[C@H](C3C=CC(O)=C(C/C=C(/C)\C)C=3)CC(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
175117

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
197678

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
8069956

$$$$