LMPK13040037
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
    9.5158    7.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5240    8.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6498    7.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3732    7.0514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6582    9.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3941    9.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7840    7.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6457    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2433    7.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7881    8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623   10.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2558    8.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4024   10.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1090    7.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    9.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307   10.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3628    6.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 17 18  1  0  0  0  0
  4 20  1  0     0  0
M  END
> <LM_ID>
LMPK13040037

> <COMMON_NAME>
Islandicin

> <SYSTEMATIC_NAME>
1,4,5-Trihydroxy-2-methylanthracene-9,10-dione

> <FORMULA>
C15H10O5

> <MASS>
270.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Anthracenes and phenanthrenes [PK1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Rhodomycelin; Rhodomycin; Funiculosin

> <INCHI_KEY>
FHFHNVHRVKQQHN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O5/c1-6-5-9(17)11-12(13(6)18)14(19)7-3-2-4-8(16)10(7)15(11)20/h2-5,16-18H,1H3

> <SMILES>
C12C(O)=C(C=C(O)C=1C(=O)C1=C(C=CC=C1O)C2=O)C

> <KEGG_ID>
C16796

> <HMDB_ID>
-

> <CHEBI_ID>
80733

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10151

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
28573

> <CITATION>
16748635

$$$$