LMST01080002
  LIPID_MAPS_STRUCTURE_DATABASE

 35 40  0  0  0  0  0  0  0  0999 V2000
    6.1709    6.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1709    6.0268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8633    5.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2480    5.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406    6.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406    6.8262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2480    7.2262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5556    6.8262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2480    8.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406    8.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6328    8.0256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6328    7.2262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0178    7.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0178    8.0256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3254    8.4254    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6328    8.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556    7.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406    7.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2329    6.5536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6328    6.6057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7104    8.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3254    9.2251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8632    9.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1814   10.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7029    9.2169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6231    9.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5490    9.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1073    9.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0277   10.0661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8000    9.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5556    6.0268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5556    5.2272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8633    7.2262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8633    8.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 34  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 32  1  0  0  0  0
 32  4  1  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  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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
 34  8  1  0  0  0  0
 32  8  1  0  0  0  0
  7  8  1  0  0  0  0
  6 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  1  0  0  0
  8 17  1  1  0  0  0
  2 18  1  6  0  0  0
  6 19  1  1  0  0  0
  7 20  1  6  0  0  0
 12 21  1  6  0  0  0
 14 22  1  1  0  0  0
 15 23  1  1  0  0  0
 23 24  1  6  0  0  0
 26 25  1  6  0  0  0
 26 27  1  1  0  0  0
 27 28  1  0  0  0  0
 30 29  1  0  0  0  0
 29 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 22  1  0  0  0  0
 30 28  1  1  0  0  0
 30 31  1  0  0  0  0
 32 33  1  1  0  0  0
 34 35  1  1  0  0  0
M  END
> <LM_ID>
LMST01080002

> <COMMON_NAME>
(25R)-5beta-spirostan-1beta,3alpha-diol

> <SYSTEMATIC_NAME>
(25R)-5beta-spirostan-1beta,3alpha-diol

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NCLLSOCDVMFDSK-FQXYYZOXSA-N

> <INCHI>
InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1

> <SMILES>
C1[C@@H](O)C[C@]2([H])[C@@](C)([C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5C[C@@]4([H])[C@]3([H])CC2)CC[C@@H](C)CO6)C)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
35370

> <ABBREVIATION>
ST 27:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6857543

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$