LMPK12080018
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0            999 V2000
    9.5990   -5.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5990   -6.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4447   -6.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2903   -6.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2903   -5.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4447   -4.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1360   -6.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9815   -6.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9815   -5.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1360   -4.7505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8273   -6.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8273   -7.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7315   -8.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6357   -7.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6357   -6.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7315   -6.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7537   -4.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9815   -8.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4447   -3.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5990   -3.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7537   -3.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2655   -2.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7772   -3.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4813   -8.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7315   -9.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8174   -9.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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
  8 11  1  1  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 12 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080018

> <COMMON_NAME>
3'-Methoxyglabridin

> <SYSTEMATIC_NAME>
4-[(3R)-3,4-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-ba(2)]dipyran-3-yl]-2-methoxy-1,3-benzenediol

> <FORMULA>
C21H22O5

> <MASS>
354.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SBQBKTSYEKPBJF-ZDUSSCGKSA-N

> <INCHI>
InChI=1S/C21H22O5/c1-21(2)9-8-15-17(26-21)7-4-12-10-13(11-25-19(12)15)14-5-6-16(22)20(24-3)18(14)23/h4-9,13,22-23H,10-11H2,1-3H3/t13-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15228663

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
7381508

$$$$