LMPK12080013
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.9966    9.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9966    8.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8554    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7143    8.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7143    9.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8554    9.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5729    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4319    8.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4319    9.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5729    9.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1687    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8554   10.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9652   11.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749   10.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    9.6608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3154   11.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1359    7.0686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1687    6.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0054    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8422    6.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8422    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0054    7.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0054    8.9579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6782    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6782    7.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5138    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3495    7.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1854    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3495    8.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  1  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  8 18  1  6  0  0  0
 11 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 11  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080013

> <COMMON_NAME>
Hispaglabridin A

> <SYSTEMATIC_NAME>
2-Prenyl-4-[[(R)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran]-3beta-yl]-1,3-benzenediol

> <FORMULA>
C25H28O4

> <MASS>
392.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HZHXMXSXYQCAIG-KRWDZBQOSA-N

> <INCHI>
InChI=1S/C25H28O4/c1-15(2)5-7-19-21(26)9-8-18(23(19)27)17-13-16-6-10-22-20(24(16)28-14-17)11-12-25(3,4)29-22/h5-6,8-12,17,26-27H,7,13-14H2,1-4H3/t17-/m0/s1

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

> <KEGG_ID>
C10425

> <HMDB_ID>
-

> <CHEBI_ID>
5730

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442774

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
7381508

$$$$