LMPK12050474
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    8.5760   10.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5760    9.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4166    8.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2572    9.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2572   10.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4166   10.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0978    8.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9384    9.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9384   10.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0978   10.7203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7788    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7788    7.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6775    7.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5763    7.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5763    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6775    9.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0978    7.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4671    7.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7358   10.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4166    7.8086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4742    9.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3720    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2700    9.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2700   10.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1678    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8937    8.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7915    9.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7915   10.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6895    8.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9958    9.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7358    8.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7358    7.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8973    7.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8973    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8098    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
 18 14  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  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
 26 30  1  0  0  0  0
 30 25  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050474

> <COMMON_NAME>
Sophoraisoflavanone C

> <SYSTEMATIC_NAME>
2,3-Dihydro-5,7-dihydroxy-3-[4-hydroxy-3-[(2E)-3,7-dimethyl-2,6-octadienyl]phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C30H36O5

> <MASS>
476.26

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GWXRDVXVNDTQKV-KEBDBYFISA-N

> <INCHI>
InChI=1S/C30H36O5/c1-18(2)7-6-8-20(5)10-11-22-15-21(12-14-25(22)31)24-17-35-27-16-26(32)23(13-9-19(3)4)29(33)28(27)30(24)34/h7,9-10,12,14-16,24,31-33H,6,8,11,13,17H2,1-5H3/b20-10+

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(O)C2C(=O)C(C3=CC(C/C=C(/CC/C=C(/C)\C)\C)=C(O)C=C3)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14630493

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 171561

> <CITATION>
-

$$$$