LMST02010021
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
    8.2516    8.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2516    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1372    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0227    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9084    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9084    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0227    8.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1372    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0227    9.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9084    9.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7938    9.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7938    8.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5650    8.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5650    9.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6795    9.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7938   10.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6795   10.6922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9084    8.7638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0033    7.5458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7938    7.6123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
  3 19  1  0  0  0  0
 17 20  2  0  0  0  0
  8 21  1  6  0  0  0
  9 22  1  6  0  0  0
 14 23  1  6  0  0  0
M  END
> <LM_ID>
LMST02010021

> <COMMON_NAME>
8-Isoestrone

> <SYSTEMATIC_NAME>
8alpha-3beta-hydroxy-estra-1,3,5(10)-trien-17-one

> <FORMULA>
C18H22O2

> <MASS>
270.16

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C18 steroids (estrogens) and derivatives [ST0201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8alpha-Estrone; 8-Epiestrone

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547221

> <LIPIDBANK_ID>
SST0248

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMST02010021

$$$$