LMST01080033
  LIPID_MAPS_STRUCTURE_DATABASE

 35 40  0  0  0  0  0  0  0  0999 V2000
    6.9445    5.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0297    5.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0297    6.6053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3347    7.0066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6394    6.6053    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3347    7.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0297    8.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7248    7.8093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7248    7.0066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1152    7.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1152    7.8093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4199    8.2105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7248    8.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6394    7.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0297    7.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3194    6.3316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7248    6.3838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8103    8.2105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4199    9.0133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9559    9.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2832    9.8372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8028    9.0050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7267    9.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6560    9.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2126    9.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2494    5.8027    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    5.4012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6394    5.8027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6394    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1366    9.8575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1214   10.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3347    5.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2494    6.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9445    7.0066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9445    7.8093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 34 33  1  0  0  0  0
 33 26  1  0  0  0  0
 26  1  1  0  0  0  0
  1 28  1  0  0  0  0
 28 32  1  0  0  0  0
 32  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  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
 34  5  1  0  0  0  0
 28  5  1  0  0  0  0
  4  5  1  0  0  0  0
  3  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  1  0  0  0
  3 15  1  1  0  0  0
  4 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 23  1  1  0  0  0
 23 24  1  0  0  0  0
 30 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
 26 27  1  1  0  0  0
 28 29  1  1  0  0  0
 30 24  1  1  0  0  0
 30 31  1  0  0  0  0
 34 35  1  1  0  0  0
M  END
> <LM_ID>
LMST01080033

> <COMMON_NAME>
Rhodeasapagenin

> <SYSTEMATIC_NAME>
(25S)-5beta-spirostan-1beta,3beta-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-NMLFMCQHSA-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+/m0/s1

> <SMILES>
C1[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](O)C[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12304363

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
182176

> <CITATION>
-

$$$$