LMPK12100030
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.5454   10.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176   11.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2895   10.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2895    9.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1936    9.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0979    9.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0979   10.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1936   11.1945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5454    9.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176    9.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1936    8.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3268    7.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3268    6.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1936    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0605    6.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0605    7.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0015   11.1941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176   12.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5454   12.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176    8.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735   11.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8020    9.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735    9.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735    8.1360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735   12.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9288   11.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6735   13.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8017   10.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 10 20  1  0  0  0  0
  1 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23  9  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 19 26  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 22 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100030

> <COMMON_NAME>
Mesuagin

> <SYSTEMATIC_NAME>
5-Hydroxy-6'',6''-dimethyl-6-isobutyryl-4-phenylpyrano[2'',3'':7,8]coumarin

> <FORMULA>
C24H22O5

> <MASS>
390.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SVCPILBFQWTZFW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C24H22O5/c1-13(2)20(26)19-21(27)18-16(14-8-6-5-7-9-14)12-17(25)28-22(18)15-10-11-24(3,4)29-23(15)19/h5-13,27H,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC(=O)C=C(C3C=CC=CC=3)C=1C(O)=C2C(=O)C(C)C

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0035876

> <CHEBI_ID>
166644

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319380

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 210380

> <CITATION>
5359679

$$$$