LMPK12080020
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0  0  0  0            999 V2000
    8.9816   -5.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9816   -6.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8281   -6.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6745   -6.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6745   -5.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8281   -4.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5211   -6.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3675   -6.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3675   -5.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5211   -4.6071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2142   -6.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2142   -7.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1191   -8.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0242   -7.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0242   -6.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1191   -6.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1355   -4.6072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3675   -8.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8281   -3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9816   -3.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1355   -3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6465   -2.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1578   -3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1191   -9.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0242   -9.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9293   -9.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9293   -8.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4182  -10.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9069   -9.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  1     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  1  2  1  0     0  0
  1 17  1  0     0  0
 12 18  1  0     0  0
  6 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 17  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 13 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 14  1  0     0  0
 26 28  1  0     0  0
 26 29  1  0     0  0
M  END
> <LM_ID>
LMPK12080020

> <COMMON_NAME>
Hispaglabridin B

> <SYSTEMATIC_NAME>
2,2-Dimethyl-6-[[(R)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran]-3beta-yl]-2H-1-benzopyran-5-ol

> <FORMULA>
C25H26O4

> <MASS>
390.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CJUFYKORDZSOLF-INIZCTEOSA-N

> <INCHI>
InChI=1S/C25H26O4/c1-24(2)11-9-18-20(28-24)8-6-17(22(18)26)16-13-15-5-7-21-19(23(15)27-14-16)10-12-25(3,4)29-21/h5-12,16,26H,13-14H2,1-4H3/t16-/m0/s1

> <SMILES>
C12OC(C)(C)C=CC=1C1OC[C@@H](C3C=CC4OC(C)(C)C=CC=4C=3O)CC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038103

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15228661

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
7381508

$$$$