LMPK12050076
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    7.8411   10.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8411    9.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6674    9.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4936    9.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4936   10.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6674   10.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3197    9.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1460    9.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1460   10.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3197   10.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9722    9.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9722    8.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8555    7.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7389    8.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7389    9.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8555    9.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3197    8.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0147   10.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6674   11.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8411   12.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0147   11.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5377   12.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5653    9.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6265    8.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1460    7.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1460    6.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5653    7.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5653    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  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  2  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
  7 17  2  0  0  0  0
 18  1  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 12 26  1  0  0  0  0
 14 28  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050076

> <COMMON_NAME>
Barbigerone

> <SYSTEMATIC_NAME>
3-(2,4,5-Trimethoxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one

> <FORMULA>
C23H22O6

> <MASS>
394.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Lonchocarpusone

> <INCHI_KEY>
OBIUGMGQVQMVSK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H22O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-12H,1-5H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC=C(C3C=C(OC)C(OC)=CC=3OC)C(=O)C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156793

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47097

> <CITATION>
-

$$$$