LMPK08000004
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    6.0606    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587   10.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907   10.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247   10.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888   10.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    5.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567   11.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    8.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548    7.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  2  0  0  0  0
  7 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
  3 21  1  0  0  0  0
 20 22  2  0  0  0  0
 18 23  1  1  0  0  0
 21 24  1  0     0  0
 19 25  1  1     0  0
 17 26  1  1     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 27 29  1  0     0  0
M  END
> <LM_ID>
LMPK08000004

> <COMMON_NAME>
4-O-acetyl-rubiginone D2

> <SYSTEMATIC_NAME>
[(2S,3R,4R)-2-hydroxy-8-methoxy-3-methyl-1,7,12-trioxo-3,4-dihydro-2H-benzo[a]anthracen-4-yl] acetate

> <FORMULA>
C22H18O7

> <MASS>
394.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Angucyclines [PK08]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DXRKISDBIVBBFG-WEYJGOAGSA-N

> <INCHI>
InChI=1S/C22H18O7/c1-9-18(24)21(27)17-13(22(9)29-10(2)23)8-7-12-16(17)20(26)11-5-4-6-14(28-3)15(11)19(12)25/h4-9,18,22,24H,1-3H3/t9-,18+,22-/m1/s1

> <SMILES>
C1=CC2C(=O)C3C4C(=O)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)C=4C=CC=3C(=O)C=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10385943

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1931

> <CITATION>
10866213

$$$$