LMPK12111579
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.7290    6.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7290    7.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042    7.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793    7.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793    6.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042    5.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4539    5.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1788    6.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1787    7.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4539    7.5110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9036    7.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6283    7.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3531    7.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3531    8.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6283    8.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9034    8.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4539    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.5110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9037    5.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0780    8.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6283    9.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0376    9.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0768    7.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8005    7.5114    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  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  9 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
  4 18  1  0  0  0  0
  8 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111579

> <COMMON_NAME>
Laurentinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HORABUFWIBXDQQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-12-5-8(6-13(23-2)15(12)20)17-16(21)14(19)10-4-3-9(18)7-11(10)24-17/h3-7,18,20-21H,1-2H3

> <SMILES>
C12C(=O)C(O)=C(C3C=C(OC)C(O)=C(OC)C=3)OC=1C=C(O)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15895793

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$