LMPK12110417
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.3324    7.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3324    8.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4658    9.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    8.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    7.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4658    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1990    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0656    7.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0656    8.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1990    9.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9323    9.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7990    8.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6656    9.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6656   10.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7990   10.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9323   10.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1990    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5323   10.8637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4658    6.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5323    8.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3975    9.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2627    8.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1263    9.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2627    7.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7990   11.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9338   12.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9338   13.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0686   11.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0686   10.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2048   12.3632    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
 18 14  1  0  0  0  0
  4 19  1  0  0  0  0
  6 20  1  0  0  0  0
 13 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
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110417

> <COMMON_NAME>
Yinyanghuo B

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

> <FORMULA>
C25H26O6

> <MASS>
422.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FIZBURLMLRCZTA-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O6/c1-13(2)5-6-15-7-16(8-17(25(15)30)9-19(27)14(3)4)22-12-21(29)24-20(28)10-18(26)11-23(24)31-22/h5,7-8,10-12,19,26-28,30H,3,6,9H2,1-2,4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66493

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5315394

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 253616

> <CITATION>
-

$$$$