LMST01080044
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0  0  0  0  0  0  0  0999 V2000
    6.2477    6.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9409    5.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0208    5.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0208    6.4279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3275    6.8282    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6341    6.4279    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3275    7.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7141    7.6286    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7141    6.8282    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1005    6.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1005    7.6286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4072    8.0290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7141    8.2493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6341    6.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0208    7.1084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3122    6.1549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7141    6.2071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7939    8.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4072    8.8296    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9445    9.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2655    9.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7862    8.8214    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6349    8.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1141    9.6718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1927    9.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7217    9.4596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2477    5.6275    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6341    5.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7078    9.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3275    5.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0208    8.0290    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
    6.9409    6.8282    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9409    7.6287    0.0000 O   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
 33 34  1  1  0  0  0
M  END
> <LM_ID>
LMST01080044

> <COMMON_NAME>
Epiruscogenin

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

> <FORMULA>
C27H42O4

> <MASS>
430.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QMQIQBOGXYYATH-MFVXVVJVSA-N

> <INCHI>
InChI=1S/C27H42O4/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/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18+,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)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178611

> <ABBREVIATION>
ST 27:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21626039

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$