LMPK12160025
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    8.6862    9.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6862    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5185    7.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3508    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3508    9.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5185    9.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1831    7.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0154    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0154    9.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1831    9.5609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8476    7.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8476    6.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7376    6.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6274    6.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6274    7.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7376    8.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8476    9.5609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540    9.5609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216    9.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216    8.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540    7.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    9.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1831    6.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4597    6.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7554    6.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5185    6.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5873    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  1  0  0  0  0
 27 28  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
  7 24  1  0  0  0  0
  3 27  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160025

> <COMMON_NAME>
Robustic acid

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

> <FORMULA>
C22H20O6

> <MASS>
380.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MBZKDBQDALOSRP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-18(20(14)26-4)19(23)17(21(24)27-16)12-5-7-13(25-3)8-6-12/h5-11,23H,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
92953

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54677407

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100139

> <CITATION>
-

$$$$