LMPK12130077
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.6132    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6132    9.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201    9.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270    9.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270    8.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201    7.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5940    7.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2002    8.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5940    9.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7936    7.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7027    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7077    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2102    8.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7077    9.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7027    9.5402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2102    6.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2151    6.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7178    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2151    8.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4975    7.0337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7165    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7205    7.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7201    6.6072    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
  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
  7 10  2  0  0  0  0
 11  4  1  0  0  0  0
  8 12  1  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  1  0  0  0  0
 16  8  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 12 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12130077

> <COMMON_NAME>
Crombenin

> <SYSTEMATIC_NAME>
4,4?,6,6?,7?-pentahydroxyisochroman-3?-spiro-2-coumaran-3-one

> <FORMULA>
C16H12O8

> <MASS>
332.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1',4'-Dihydro-4,4',6,6',7'-pentahydroxyspiro[benzofuran-2 (3H),3'-[3H-2]benzopyran]-3-one

> <INCHI_KEY>
AZXDUXHNBXWISJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O8/c17-7-2-11(20)13-12(3-7)24-16(15(13)22)14(21)8-4-10(19)9(18)1-6(8)5-23-16/h1-4,14,17-21H,5H2

> <SMILES>
C12C(=O)C3(OCC4C=C(O)C(O)=CC=4C3O)OC=1C=C(O)C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196356

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607794

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3808

> <CITATION>
-

$$$$