LMPK12080060
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.5881   11.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5881   10.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4275    9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   10.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   11.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4275   11.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061    9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9455   10.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9455   11.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1061   11.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.7638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8010    9.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8010    8.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6985    8.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5959    8.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5959    9.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6985   10.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9455    8.2764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6985    7.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5959    6.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4934    7.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4934    8.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9872    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4813    7.2161    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  2  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
  1 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  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 12  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080060

> <COMMON_NAME>
Glabrene

> <SYSTEMATIC_NAME>
8-(7-Hydroxy-2H-chromen-3-yl)-2,2-dimethylchromen-5-ol

> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KKLOCFOZPFGVBB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-10,21-22H,11H2,1-2H3

> <SMILES>
C1(O)=CC2OCC(C3C=CC4OC(C)(C)C=CC=4C=3O)=CC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317648

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
7381508

$$$$