LMPK12080058
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0  0  0  0  0999 V2000
    7.5493   10.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5493    9.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    8.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2249    9.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2249   10.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871   10.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0629    8.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007    9.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007   10.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0629   10.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7385    8.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7385    7.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6342    7.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5300    7.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5300    8.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6342    9.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6291   10.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6291    9.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5137    7.4672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1217    8.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5137    9.1408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0629    7.8537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007    7.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9007    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  2  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
  7 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080058

> <COMMON_NAME>
Ambanol

> <SYSTEMATIC_NAME>
6,7-Dihydro-6-(6-methoxy-1,3-benzodioxol-5-yl)-5H-furo[3,2-g][1]benzopyran-5-ol

> <FORMULA>
C19H16O6

> <MASS>
340.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DORQFPCYGCVJIH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H16O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-7,13,19-20H,8-9H2,1H3

> <SMILES>
C12OC=CC1=CC1C(O)C(C3=CC4OCOC=4C=C3OC)COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184929

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257522

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$