LMST01080043
  LIPID_MAPS_STRUCTURE_DATABASE

 33 38  0  0  0  0  0  0  0  0999 V2000
    6.2472    6.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9398    5.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0181    5.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0181    6.4270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3253    6.8270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6325    6.4270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3253    7.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7108    7.6268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7108    6.8270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0962    6.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0962    7.6268    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4034    8.0268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7108    8.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6325    6.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0181    7.1070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3101    6.1542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7108    6.2063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7890    8.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4034    8.8268    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9411    9.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2603    9.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7814    8.8186    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6286    8.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1074    9.6683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1867    9.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7146    9.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2472    5.6272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6325    5.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7022    9.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3253    5.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0181    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9398    6.8270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 33  1  1  0  0  0  0
  1 27  1  0  0  0  0
 27  2  1  0  0  0  0
  2 28  1  0  0  0  0
 28 30  2  0  0  0  0
 30  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7 31  1  0  0  0  0
 31  8  1  0  0  0  0
  8  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
 33  6  1  0  0  0  0
 28  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  6 14  1  1  0  0  0
  4 15  1  1  0  0  0
  5 16  1  6  0  0  0
  9 17  1  6  0  0  0
 11 18  1  1  0  0  0
 12 19  1  1  0  0  0
 19 20  1  6  0  0  0
 22 21  1  6  0  0  0
 22 29  1  1  0  0  0
 29 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 18  1  0  0  0  0
 24 26  1  0  0  0  0
 27 32  1  6  0  0  0
 24 23  1  1  0  0  0
M  END
> <LM_ID>
LMST01080043

> <COMMON_NAME>
Epidiosgenin

> <SYSTEMATIC_NAME>
(25R)-spirost-5-en-3alpha-ol

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WQLVFSAGQJTQCK-RFKRAQKKSA-N

> <INCHI>
InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19-,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

> <SMILES>
C1[C@@H](O)CC2[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])CC=2)CC[C@@H](C)CO6)C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187751

> <ABBREVIATION>
ST 27:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12304506

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1604314

> <CITATION>
-

$$$$