LMPK12050179
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
   10.4327    8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3410    8.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3410    9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4327   10.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5242    9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5242    8.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2495    8.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1578    8.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1578    9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2495   10.3370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0933    8.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0933    7.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0112    6.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9292    7.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9292    8.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0112    8.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8472    6.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7652    7.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7652    8.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8472    8.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5267   10.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9101    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5267    8.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4327    7.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2495    7.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0795    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6899    9.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2978    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2288    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6422    7.3985    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
  2  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  3  1  0  0  0  0
  8 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
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23  6  1  0  0  0  0
  1 24  1  0  0  0  0
  7 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050179

> <COMMON_NAME>
Ulexin C

> <SYSTEMATIC_NAME>
2-(1-Hydroxy-1-methylethyl)-4-hydroxy-6-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5H-furo[3,2-g][1]benzopyran-5-one

> <FORMULA>
C25H22O6

> <MASS>
418.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZCPMFYOKWFXSAI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H22O6/c1-24(2)8-7-14-9-13(5-6-17(14)31-24)16-12-29-19-11-18-15(22(26)21(19)23(16)27)10-20(30-18)25(3,4)28/h5-12,26,28H,1-4H3

> <SMILES>
C1(O)C2C=C(C(O)(C)C)OC=2C=C2OC=C(C3C=C4C=CC(C)(C)OC4=CC=3)C(=O)C=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5323553

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1311270

> <CITATION>
11858751

$$$$