LMPK13060001
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
   11.1985    8.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6202    8.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6161    7.2462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7019    8.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6978    7.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    8.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6118    9.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6592    7.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7003    8.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7477    9.9213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6921    7.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7436    6.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8021    9.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8021    7.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1912    8.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5631   10.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9327    8.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8438   10.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9327    7.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8438    6.0606    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.1896    8.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9202   10.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0632    7.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6  8  2  0  0  0  0
 11 15  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK13060001

> <COMMON_NAME>
Griseofulvin

> <SYSTEMATIC_NAME>
(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione

> <FORMULA>
C17H17O6Cl

> <MASS>
352.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Dibenzofurans, griseofulvins, dibenzopyrans and xanthones [PK1306]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DDUHZTYCFQRHIY-RBHXEPJQSA-N

> <INCHI>
InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1

> <SMILES>
[C@]12([C@H](C)CC(=O)C=C1OC)OC1=C(C(OC)=CC(OC)=C1Cl)C2=O

> <KEGG_ID>
C06686

> <HMDB_ID>
HMDB0014544

> <CHEBI_ID>
27779

> <ABBREVIATION>
-

> <CAYMAN_ID>
19461

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441140

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5078

> <CITATION>
13671398

$$$$