LMPK13040008
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
   10.3980    8.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3898    7.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5322    9.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2681    9.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5240    7.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2514    7.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623    8.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5363   10.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1298    8.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2765   10.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6580    7.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5240    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1214    7.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8006    9.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8006    7.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9789    7.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    8.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8006   10.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    7.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0637    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  2  0  0  0  0
  4 10  1  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
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK13040008

> <COMMON_NAME>
Emodin

> <SYSTEMATIC_NAME>
1,3,8-trihydroxy-6-methylanthracene-9,10-dione

> <FORMULA>
C15H10O5

> <MASS>
270.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Anthracenes and phenanthrenes [PK1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C10343

> <HMDB_ID>
HMDB0035214

> <YMDB_ID>
-

> <CHEBI_ID>
42223

> <CAYMAN_ID>
13109

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3220

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK13040008

$$$$