LMPK12020007
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.2670    6.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2670    5.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9795    5.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6921    5.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6921    6.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9795    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4046    5.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1172    5.6583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1172    6.4810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4046    6.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8298    5.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8298    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5482    6.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667    6.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667    7.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5482    8.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8298    7.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9842    8.1363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.8924    0.0000 O   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  1  1  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  1  0  0  0
  9 12  1  6  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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020007

> <COMMON_NAME>
Guibourtinidol

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H14O4

> <MASS>
258.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RHYGXRGFSFQNLC-DZGCQCFKSA-N

> <INCHI>
InChI=1S/C15H14O4/c16-11-4-1-9(2-5-11)15-13(18)7-10-3-6-12(17)8-14(10)19-15/h1-6,8,13,15-18H,7H2/t13-,15+/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)CC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9878329

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$