LMPK12120393
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0  0  0  0  0  0  0  0999 V2000
   14.6129    5.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3496    6.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3496    7.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6129    7.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8763    7.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8763    6.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1396    7.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4029    7.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4029    6.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1396    5.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6115    5.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1646    5.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    7.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7234    7.6259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9776    7.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9776    6.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7234    5.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    5.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5103    6.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7623    5.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7623    5.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2429    7.6193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1163    7.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6925    7.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9878    7.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1646    5.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6115    5.2954    0.0000 O   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  1  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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 17 25  1  0  0  0  0
 15 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
 13 29  2  0  0  0  0
 11 30  2  0  0  0  0
M  END
> <LM_ID>
LMPK12120393

> <COMMON_NAME>
Glycyrdione B

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H26O5

> <MASS>
406.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XTBSNHSJEVANCR-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H26O5/c1-15(2)5-6-17-12-19(23(29)14-21(17)27)22(28)13-20(26)16-7-8-24-18(11-16)9-10-25(3,4)30-24/h5,7-12,14,27,29H,6,13H2,1-4H3

> <SMILES>
C1C2C=C(C(=O)CC(=O)C3C=C(C/C=C(/C)\C)C(O)=CC=3O)C=CC=2OC(C)(C)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197055

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15742119

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$