LMPK12111044
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.5247    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    9.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887   10.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    9.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5870    9.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5870   10.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210   10.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887   11.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5718   10.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9290   11.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587   10.3606    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
 18 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 14  1  0  0  0  0
 15 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
  3 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111044

> <COMMON_NAME>
Muxiangrin I

> <SYSTEMATIC_NAME>
5-Hydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-7-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one

> <FORMULA>
C23H22O6

> <MASS>
394.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Muxiangrine I

> <INCHI_KEY>
PVTASJQBVPOLER-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H22O6/c1-11-19(26)18-15(24)10-17(28-21(18)12(2)20(11)27-5)14-8-13-6-7-23(3,4)29-22(13)16(25)9-14/h6-10,25-26H,1-5H3

> <SMILES>
C12C(=O)C=C(C3C=C(O)C4OC(C)(C)C=CC=4C=3)OC=1C(C)=C(OC)C(C)=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168349

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258380

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 41226

> <CITATION>
5439745

$$$$