LMPK12080016
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0            999 V2000
    8.8891   -6.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8891   -7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7261   -7.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5630   -7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5630   -6.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7261   -5.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4001   -7.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2371   -7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2371   -6.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4001   -5.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0741   -7.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0741   -8.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9690   -9.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639   -8.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639   -7.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9690   -7.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0525   -5.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2371   -9.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7261   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8891   -4.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0525   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5692   -3.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0860   -4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7009   -9.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5669   -8.5639    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
 14 24  1  0     0  0
 24 25  1  0     0  0
M  END
> <LM_ID>
LMPK12080016

> <COMMON_NAME>
4'-O-Methylglabridin

> <SYSTEMATIC_NAME>
2-[[(R)-3,4-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran]-3beta-yl]-5-methoxyphenol

> <FORMULA>
C21H22O4

> <MASS>
338.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZZAIPFIGEGQNHP-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3/t14-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033672

> <CHEBI_ID>
169807

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9927807

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
7381508

$$$$