LMPK12130076
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.6500    8.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500    9.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    9.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    9.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    8.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    7.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5980    7.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1839    8.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5980    9.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7911    7.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9573    9.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7106    7.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7095    7.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1936    6.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1618    6.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6460    7.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1618    8.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1936    8.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6130    7.8278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    6.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9747    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130076

> <COMMON_NAME>
Carpusin

> <SYSTEMATIC_NAME>
2,6-Dihydroxy-2-(4-hydroxybenzyl)-4-methoxybenzofuran-3(2H)-one

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IQTGAKWQIFFPQX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H14O6/c1-21-12-6-11(18)7-13-14(12)15(19)16(20,22-13)8-9-2-4-10(17)5-3-9/h2-7,17-18,20H,8H2,1H3

> <SMILES>
C12C(=O)C(CC3C=CC(O)=CC=3)(O)OC=1C=C(O)C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66680

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134369

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1226761

> <CITATION>
-

$$$$