LMPK13040013
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    9.1348    7.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1314    6.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4208    7.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8523    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8454    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4208    6.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4208    8.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7033    7.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5663    7.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8557    8.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5560    6.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8420    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7033    6.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7033    8.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2837    7.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2666    6.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9892    6.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6998    9.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9892    8.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9874    7.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2906    8.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9806    6.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2719    6.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9825   10.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2719    8.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9962    7.7259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6912    6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    9.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9790   11.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5647    8.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2660   11.4359    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  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
 14  7  1  1  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  6  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 28 31  1  6  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
 20 22  1  0  0  0  0
 25 28  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK13040013

> <COMMON_NAME>
Physcion 8-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Anthracenes and phenanthrenes [PK1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
POMKXWCJRHNLRP-DQMLXFRHSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-8-3-10-15(12(24)4-8)19(27)16-11(17(10)25)5-9(30-2)6-13(16)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1

> <SMILES>
C12C(=O)C3=C(C=C(C=C3O)C)C(=O)C=1C=C(C=C2O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)OC

> <KEGG_ID>
C10384

> <HMDB_ID>
HMDB0035931

> <CHEBI_ID>
191518

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168938

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$