LMST01031275
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.9172   -4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7980   -5.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7980   -6.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9172   -6.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0366   -6.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0366   -5.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6788   -4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5595   -5.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5595   -6.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6788   -6.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6787   -3.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5594   -3.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4401   -3.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4401   -4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3207   -3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2014   -3.6449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2015   -4.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3207   -2.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2013   -1.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4400   -1.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0820   -2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9627   -1.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8435   -2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8435   -3.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7241   -1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6788   -5.2975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5466   -4.4116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1559   -6.6960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8867   -4.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5284   -2.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4653   -5.3172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9627   -0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0820   -3.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9071   -2.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4762   -2.6595    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  2  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  0     0  0
 18 19  1  0     0  0
 18 20  2  0     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
  7 26  1  6     0  0
  8 27  1  1     0  0
  5 28  1  1     0  0
  2 29  1  1     0  0
 13 30  1  1     0  0
 14 31  1  6     0  0
 22 32  1  6     0  0
 21 33  1  6     0  0
 15 34  1  6     0  0
 34 35  1  0     0  0
M  END
> <LM_ID>
LMST01031275

> <COMMON_NAME>
Xidaosteroid A

> <SYSTEMATIC_NAME>
17alpha-hydroperoxy-23R-Methyl-ergosta-5,20(21)-diene-3beta-ol

> <FORMULA>
C29H48O3

> <MASS>
444.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121374

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01031275

$$$$