LMPK12080033
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    6.8835   10.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8835    9.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7066    9.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    9.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295   10.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7066   11.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3524    9.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1753    9.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1753   10.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3524   11.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9985    9.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9985    8.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8782    7.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7582    8.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7582    9.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8782    9.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1753    7.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5813    7.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8622    8.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8782    6.6711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9352    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  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  0  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
 14 19  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080033

> <COMMON_NAME>
Isomucronulatol

> <SYSTEMATIC_NAME>
7,2'-Dihydroxy-3',4'-dimethoxyisoflavan

> <FORMULA>
C17H18O5

> <MASS>
302.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NQRBAPDEZYMKFL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18O5/c1-20-14-6-5-13(16(19)17(14)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3

> <SMILES>
C1(O)C=CC2CC(C3C=CC(OC)=C(OC)C=3O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033189

> <CHEBI_ID>
169277

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
602152

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
-

$$$$