LMPK12050456
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.5219   10.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5219    9.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442    9.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1666    9.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1666   10.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442   10.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9889    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8112    9.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8112   10.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9889   10.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6336    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6336    8.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5129    7.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3919    8.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3919    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5129    9.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9889    8.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188   10.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    9.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2143    7.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2143    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2143    9.5038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2704    8.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8112    7.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8112    6.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
  1  2  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  2  1  0  0  0  0
 14 21  1  0  0  0  0
 15 23  1  0  0  0  0
 12 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050456

> <COMMON_NAME>
Ambonone

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H18O6

> <MASS>
354.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JEBAYRCLJJUGFS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O6/c1-22-16-9-19(24-3)18(23-2)7-12(16)14-10-26-17-8-15-11(4-5-25-15)6-13(17)20(14)21/h4-9,14H,10H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257378

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$