LMST04010452
  LIPID_MAPS_STRUCTURE_DATABASE

 43 47  0     0  0            999 V2000
    5.9116   -3.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8058   -3.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8058   -5.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9116   -5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173   -5.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173   -3.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001   -3.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943   -3.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943   -5.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   -5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001   -2.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943   -1.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4885   -2.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4885   -3.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4987   -2.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0150   -3.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3240   -3.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231   -3.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231   -5.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9187   -1.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5469   -1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8407   -2.9781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034   -3.2103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7967   -5.7989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3337   -5.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943   -1.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9456   -1.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3117   -0.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5525   -1.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5794   -1.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1864   -2.7233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2063   -2.8848    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.1117   -3.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3398   -1.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2262   -3.0463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2288   -3.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2288   -5.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3346   -5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404   -5.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404   -3.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3346   -3.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001   -4.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4797   -4.2751    0.0000 H   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
 17 14  1  0     0  0
  6 18  2  0     0  0
  5 19  2  0     0  0
 15 20  1  1     0  0
 13 21  1  1     0  0
  2 22  1  1     0  0
  8 23  1  1     0  0
  3 24  1  6     0  0
  9 25  1  6     0  0
 12 26  1  6     0  0
 20 27  1  0     0  0
 20 28  1  6     0  0
 27 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 32 34  2  0     0  0
 32 35  1  0     0  0
 18 36  1  0     0  0
 36 37  1  0     0  0
 37 38  2  0     0  0
 38 39  1  0     0  0
 39 40  2  0     0  0
 40 41  1  0     0  0
 41 36  2  0     0  0
  7 42  1  6     0  0
 14 43  1  6     0  0
M  END
> <LM_ID>
LMST04010452

> <COMMON_NAME>
Z-Petromylidene B

> <SYSTEMATIC_NAME>
2-(Z)-benzylidene-7alpha,12alpha,24-trihydroxy-5alpha-cholan-3-one-24-sulfate

> <FORMULA>
C31H44O7S

> <MASS>
560.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121388

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010452

$$$$