LMPK12110846
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.6044   10.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6044    9.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    8.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3479    9.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3479   10.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761   10.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2197    8.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0914    9.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0914   10.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2197   10.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2197    8.0880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9628   10.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8513   10.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7399   10.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7399   11.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8513   12.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9628   11.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    7.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872   12.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8513   13.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6280   10.3731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9628    8.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9628    7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8324    7.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8324    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7020    7.8667    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
  1 20  1  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110846

> <COMMON_NAME>
Asplenetin

> <SYSTEMATIC_NAME>
5,7,3',4',5'-Pentahydroxy-3- (3-methylbutyl) flavone

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SHVBBRIPECWRKL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-9(2)3-4-12-18(25)17-13(22)7-11(21)8-16(17)27-20(12)10-5-14(23)19(26)15(24)6-10/h5-9,21-24,26H,3-4H2,1-2H3

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(CCC(C)C)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185283

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258253

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43198

> <CITATION>
-

$$$$