LMST01031091
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    8.6223    7.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601    7.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8601    6.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6223    5.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3845    6.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1468    5.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9092    6.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9092    7.1706    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1468    7.6108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3845    7.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1468    8.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9092    8.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6714    8.4909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6714    7.6108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1960    7.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4337    8.9310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6714    9.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4337    9.6352    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.7170    9.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0435    9.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6534    9.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8729    9.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4829    9.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8729    9.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9273    9.2160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9092    7.9188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1302    6.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6714    6.9277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2632    9.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2632   10.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1960    8.4909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9583    8.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4337   10.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3148    5.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4346    5.9757    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4346    6.8558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4346    5.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9757    0.0000 O   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 31  1  0  0  0  0
 31 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 29 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  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 16  1  0  0  0  0
 13 17  1  1  0  0  0
 18 19  1  6  0  0  0
 16 25  1  6  0  0  0
 18 33  1  1  0  0  0
  3 34  1  0  0  0  0
  8 26  1  1  0  0  0
  9 27  1  6  0  0  0
 14 28  1  6  0  0  0
 29 30  2  0  0  0  0
 31 32  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  END
> <LM_ID>
LMST01031091

> <COMMON_NAME>
29-demethylgeodisterol-O-sulfite

> <SYSTEMATIC_NAME>
19-nor-24-methylene-cholesta-1,3,5(10)-trien-3,16beta,20S-triol 3-sulfate

> <FORMULA>
C27H40O6S

> <MASS>
492.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(16S,20S)-16,20-dihydroxy-19-norergosta-1,3,5(10),24(28)-tetraen-3-yl sulfate

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
169252

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44254701

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01031091

$$$$