LMPK12160026
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    8.6673    9.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6673    8.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4935    7.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3198    8.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3198    9.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4935    9.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1460    7.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9723    8.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9723    9.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1460    9.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985    7.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985    6.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6820    6.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5654    6.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5654    7.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6820    8.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985    9.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8410    9.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0148    9.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0148    8.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8410    7.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5377    9.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4935    6.6734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5546    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917    6.1303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6779    6.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1460    6.6734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2071    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
  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  2  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
  9 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 14 26  1  0  0  0  0
  7 28  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160026

> <COMMON_NAME>
Robustic acid methyl ether

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

> <FORMULA>
C23H22O6

> <MASS>
394.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Methyl robustate

> <INCHI_KEY>
UPHWJAWTGRBPAJ-UHFFFAOYSA-N

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

> <SMILES>
C12OC(C)(C)C=CC1=C(OC)C1C(OC)=C(C3=CC=C(OC)C=C3)C(=O)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4262362

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100139

> <CITATION>
-

$$$$