LMPK13040007
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.0699    8.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0657    7.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2043    9.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9400    9.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9316    7.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2043    7.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2084   10.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3342    8.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8057    8.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9440   10.3609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7973    7.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9274    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3342    7.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3342   10.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6756    9.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6549    7.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301   11.8760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4726   10.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5290    8.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6840   10.3484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5207    7.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4600   12.3672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6026   10.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    9.3661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3823    7.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5943   11.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559   13.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7410   10.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5914   13.8647    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
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  6  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  1  0  0  0
 23 28  1  1  0  0  0
 26 29  1  6  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
 19 21  1  0  0  0  0
 23 26  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK13040007

> <COMMON_NAME>
Chrysophanol 8-O-beta-D-glucoside

> <SYSTEMATIC_NAME>
8-(beta-D-glucopyranosyloxy)-1-hydroxy-3-methyl-9,10-anthracenedione

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Anthracenes and phenanthrenes [PK1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Pulmatin

> <INCHI_KEY>
WMMOMSNMMDMSRB-JNHRPPPUSA-N

> <INCHI>
InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1

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

> <KEGG_ID>
C10316

> <HMDB_ID>
-

> <CHEBI_ID>
3688

> <ABBREVIATION>
-

> <CAYMAN_ID>
36343

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442731

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
137221

> <CITATION>
-

$$$$