LMPK12120050
  LIPID_MAPS_STRUCTURE_DATABASE

 34 35  0  0  0  0  0  0  0  0999 V2000
   12.2818    7.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2818    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9943    5.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7068    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7068    7.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9943    7.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6720    6.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3845    5.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9598    5.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2414    6.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9598    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2414    7.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5336    7.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8259    7.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8259    6.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5336    5.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4192    7.4659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5336    5.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1183    7.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1183    5.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    6.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7061    5.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7061    5.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9943    8.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7065    8.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7065    9.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9943    9.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4187    9.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4190    5.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1296    6.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8388    5.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5479    6.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8388    5.0027    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
  4 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120050

> <COMMON_NAME>
Sophoradin

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H36O4

> <MASS>
460.26

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YAPAFDNQABLIIN-XNTDXEJSSA-N

> <INCHI>
InChI=1S/C30H36O4/c1-19(2)7-11-23-17-22(18-24(29(23)33)12-8-20(3)4)10-15-27(31)26-14-16-28(32)25(30(26)34)13-9-21(5)6/h7-10,14-18,32-34H,11-13H2,1-6H3/b15-10+

> <SMILES>
C1=C(C/C=C(/C)\C)C(O)=C(C/C=C(\C)/C)C=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/C)C(O)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186143

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321393

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$