LMPK12070107
  LIPID_MAPS_STRUCTURE_DATABASE

 24 29  0  0  0  0  0  0  0  0999 V2000
    7.5248    9.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3490    7.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1730    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1730    9.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3490    9.4896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9971    7.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8211    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8211    9.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9971    9.4896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6448    7.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6448    6.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5259    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4069    6.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4069    7.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5259    8.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0056    6.5696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6407    8.5354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3744    6.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9725    7.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3744    7.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6197    9.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6197    7.7682    0.0000 C   0  0  0  0  0  0  0  0  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  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 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  8 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070107

> <COMMON_NAME>
Neobanol

> <SYSTEMATIC_NAME>
(6aR)-6H-[1,3]Dioxolo[5,6]benzofuro[ 3,2-c]furo[3,2-g][1]benzopyran-6abeta(12abetaH)-ol

> <FORMULA>
C18H12O6

> <MASS>
324.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QVTNCCTYKIEOIS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H12O6/c19-18-7-21-13-5-12-9(1-2-20-12)3-10(13)17(18)24-14-6-16-15(4-11(14)18)22-8-23-16/h1-6,17,19H,7-8H2

> <SMILES>
C12OC=CC1=CC1C3OC4=CC5OCOC=5C=C4C3(O)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196332

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257477

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$