LMPK10000001
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0     0  0            999 V2000
   10.1204    8.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3120    8.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9463    8.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1766    9.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3207    7.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6820    8.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9636    7.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7678    8.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9247   10.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5122    6.7839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1464    6.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6906    7.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7807    6.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7635    9.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5849    8.2538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289   11.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8822    6.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0692    7.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5936    7.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5893   10.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7246   11.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5763   11.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4109    9.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7184    9.1853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6949    6.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
  7 11  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 18 19  1  0  0  0  0
 22 23  1  0  0  0  0
  6 25  1  6  0  0  0
 12 26  1  6  0  0  0
M  END
> <LM_ID>
LMPK10000001

> <COMMON_NAME>
Sterigmatocystin

> <SYSTEMATIC_NAME>
(3aR,12cS)-8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one

> <FORMULA>
C18H12O6

> <MASS>
324.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aflatoxins and related substances [PK10]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UTSVPXMQSFGQTM-DCXZOGHSSA-N

> <INCHI>
InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3/t8-,18+/m0/s1

> <SMILES>
C12OC3=C(C(O)=CC=C3)C(=O)C=1C(=CC1O[C@@]3([H])OC=C[C@@]3([H])C2=1)OC

> <KEGG_ID>
C00961

> <HMDB_ID>
-

> <CHEBI_ID>
18227

> <ABBREVIATION>
-

> <CAYMAN_ID>
11441

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280389

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
46472

> <CITATION>
-

$$$$