LMPK13040009
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.1324    7.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290    6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216    7.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8501    7.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8432    6.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216    6.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216    8.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7039    7.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5643    7.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8536    8.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5575    6.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8432    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7039    6.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7039    8.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2819    7.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2682    6.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9863    6.0751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    9.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9897    8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9893    7.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2888    8.5405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9790    6.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9794   10.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2721    8.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    7.7301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6933    6.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2686    9.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9760   11.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5613    8.5474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2629   11.4379    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
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  6  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  1  0  0  0
 24 29  1  1  0  0  0
 27 30  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
 24 27  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK13040009

> <COMMON_NAME>
Emodin 8-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O10

> <MASS>
432.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Anthracenes and phenanthrenes [PK1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HSWIRQIYASIOBE-JNHRPPPUSA-N

> <INCHI>
InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/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)O

> <KEGG_ID>
C10345

> <HMDB_ID>
-

> <CHEBI_ID>
4783

> <ABBREVIATION>
-

> <CAYMAN_ID>
34474

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
99649

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$