LMST05020054
  LIPID_MAPS_STRUCTURE_DATABASE

 38 42  0     0  0            999 V2000
    3.6705   -6.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5354   -6.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5354   -7.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6705   -8.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055   -7.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055   -6.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4004   -6.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653   -6.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653   -7.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4004   -8.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4003   -5.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2652   -4.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1304   -5.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1304   -6.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9953   -4.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8603   -5.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8604   -6.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9953   -3.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8602   -3.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1303   -3.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7252   -3.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5901   -3.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4551   -3.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200   -3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4551   -4.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7253   -4.5191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5354   -5.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406   -8.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6705   -9.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355   -8.5145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1304   -4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4004   -6.7666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1643   -6.8324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653   -5.7428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0756   -8.5145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500   -9.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5852   -7.5907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2049   -9.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 15 18  1  1     0  0
 18 19  1  0     0  0
 18 20  1  6     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
 21 26  1  6     0  0
  2 27  1  1     0  0
  5 28  1  1     0  0
  4 29  1  1     0  0
  3 30  1  1     0  0
 10 30  1  1     0  0
 13 31  1  1     0  0
  7 32  1  6     0  0
 14 33  1  6     0  0
  8 34  1  1     0  0
 28 35  1  0     0  0
 35 36  2  0     0  0
 35 37  2  0     0  0
 35 38  1  0     0  0
M  END
> <LM_ID>
LMST05020054

> <COMMON_NAME>
Gracilosulfate C

> <SYSTEMATIC_NAME>
4beta,23S-dihydroxy,5beta,6beta-epoxy-cholest-3beta-yl-sulfate

> <FORMULA>
C27H46O7S

> <MASS>
514.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120303

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05020054

$$$$