LMPK12111040
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.5256    7.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5256    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6595    9.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7932    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7932    7.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6595    7.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3919    7.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2582    7.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2582    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3919    9.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9907    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8570    9.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8570   10.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9907   10.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3919    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    9.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6595    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    7.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6595   10.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7232   10.5619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7232    8.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9907   11.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1259   12.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1259   13.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2611   13.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9907   13.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 11  1  0  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
  4 18  1  0  0  0  0
  6 19  1  0  0  0  0
  5 20  1  0  0  0  0
  3 21  1  0  0  0  0
 14 22  1  0  0  0  0
 13 23  1  0  0  0  0
 18 24  1  0  0  0  0
 15 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
M  END
> <LM_ID>
LMPK12111040

> <COMMON_NAME>
Muxiangrin III

> <SYSTEMATIC_NAME>
2- [ 3,4-Dihydroxy-5- (3-methyl-2-butenyl) phenyl ] -5-hydroxy-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one

> <FORMULA>
C23H24O6

> <MASS>
396.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Muxiangrine III

> <INCHI_KEY>
PCAHZXLEUZEBMU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H24O6/c1-11(2)6-7-14-8-15(9-17(25)21(14)27)18-10-16(24)19-20(26)12(3)22(28-5)13(4)23(19)29-18/h6,8-10,25-27H,7H2,1-5H3

> <SMILES>
C12C(=O)C=C(C3C=C(C/C=C(\C)/C)C(O)=C(O)C=3)OC=1C(C)=C(OC)C(C)=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258378

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 41226

> <CITATION>
17260252

$$$$