LMPK12070111
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0  0  0  0            999 V2000
   10.4052   -5.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4052   -6.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2338   -6.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0624   -6.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0624   -5.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2338   -4.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8911   -6.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7197   -6.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7197   -5.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8911   -4.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5480   -6.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5480   -7.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4340   -8.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3199   -7.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3199   -6.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4340   -6.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8999   -7.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2050   -8.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4747   -5.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4953   -4.8964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9329   -5.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4953   -6.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9764   -5.6706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4981   -6.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4981   -4.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8567   -5.6706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3514   -6.9944    0.0000 H   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  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  7 17  1  0     0  0
  1  2  1  0     0  0
 12 17  1  0     0  0
 14 18  1  0     0  0
  8 19  1  6     0  0
  1 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22  2  1  0     0  0
 21 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
 23 26  1  0     0  0
  7 27  1  6     0  0
M  END
> <LM_ID>
LMPK12070111

> <COMMON_NAME>
Glyceofuran

> <SYSTEMATIC_NAME>
(6aS)-2-(1-Hydroxy-1-methylethyl)-6H-benzofuro[3,2-c]furo[3,2-g][1]benzopyran-6aalpha,9(11aalphaH)-diol

> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FLURXOFTUKXKQN-AZUAARDMSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3/t18-,20+/m0/s1

> <SMILES>
C12OC(C(O)(C)C)=CC1=CC1[C@]3([H])OC4=CC(O)=CC=C4[C@]3(O)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034111

> <CHEBI_ID>
175543

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
187147

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3847

> <CITATION>
-

$$$$