LMPK13040026
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    9.5349    8.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5224    7.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6687    9.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4050    9.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605    7.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3843    7.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7983    8.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   10.0802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2627    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4134   10.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    7.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6562    6.0744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2546    7.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9322    9.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9322    7.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    8.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    7.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9332   10.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1956    7.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3299    7.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4635    7.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3305    8.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  2  0     0  0
  4  9  2  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  2  0     0  0
  6 13  2  0     0  0
  7 14  1  0     0  0
 11 15  1  0     0  0
 14 16  2  0     0  0
 15 17  2  0     0  0
  7 11  2  0     0  0
  9 13  1  0     0  0
 16 17  1  0     0  0
 14 18  1  0     0  0
 17 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 20 22  1  6     0  0
M  END
> <LM_ID>
LMPK13040026

> <COMMON_NAME>
Penipurdin B

> <SYSTEMATIC_NAME>
1,8-dihydroxy-3-[(2S)-2-hydroxypropyl]-9,10-anthracenedione

> <FORMULA>
C17H14O5

> <MASS>
298.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Anthracenes and phenanthrenes [PK1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BWUKBHJLHDIIAV-QMMMGPOBSA-N

> <INCHI>
InChI=1S/C17H14O5/c1-8(18)5-9-6-11-15(13(20)7-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-4,6-8,18-20H,5H2,1H3/t8-/m0/s1

> <SMILES>
C12C(O)=CC=CC=1C(=O)C1=C(C(O)=CC(C[C@@H](O)C)=C1)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120959

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1266744

> <CITATION>
-

$$$$