LMPK12050270
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    8.5895   10.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5895    9.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4325    9.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2756    9.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2756   10.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4325   11.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    9.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9615    9.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9615   10.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186   11.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8046    9.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8046    8.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7058    7.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6071    8.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6071    9.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7058    9.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    8.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7466    9.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7466   11.1672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4325    8.2470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500    7.6929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7466    8.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9036    7.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9036    6.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7058   10.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5488   11.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5488   12.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917   12.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7058   12.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4500    9.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5328    9.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7058    6.6859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7885    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  1  0  0  0  0
 33 34  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  2  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
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 14 21  1  0  0  0  0
 18 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
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 13 33  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050270

> <COMMON_NAME>
Pumilaisoflavone C

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-3',5'-dimethoxy-6,2'-diprenylisoflavone

> <FORMULA>
C27H30O7

> <MASS>
466.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZFUYAROWFZXDIQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C27H30O7/c1-14(2)7-9-16-18(11-22(32-5)26(31)27(16)33-6)19-13-34-21-12-20(28)17(10-8-15(3)4)24(29)23(21)25(19)30/h7-8,11-13,28-29,31H,9-10H2,1-6H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186003

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14282793

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1383562

> <CITATION>
-

$$$$