LMST01080042
  LIPID_MAPS_STRUCTURE_DATABASE

 33 38  0  0  0  0  0  0  0  0999 V2000
    6.2432    6.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9320    5.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9984    5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9984    6.4203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3095    6.8180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6207    6.4203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3095    7.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    7.6132    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6872    6.8180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0647    6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0647    7.6132    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3758    8.0110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6872    8.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6207    6.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9984    7.0964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2944    6.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7536    8.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3758    8.8065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9162    9.2662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2221    9.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7460    8.7983    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5826    8.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0588    9.6432    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1433    9.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625    9.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2432    5.6250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6207    5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6616    9.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3095    5.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9984    8.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9320    6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    6.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 32  1  1  0  0  0  0
  1 26  1  0  0  0  0
 26  2  1  0  0  0  0
  2 27  1  0  0  0  0
 27 29  2  0  0  0  0
 29  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 30  1  0  0  0  0
 30  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
 32  6  1  0  0  0  0
 27  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 33  1  6  0  0  0
 11 17  1  1  0  0  0
 12 18  1  1  0  0  0
 18 19  1  6  0  0  0
 21 20  1  6  0  0  0
 21 28  1  1  0  0  0
 28 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 17  1  0  0  0  0
 23 25  1  0  0  0  0
 26 31  1  1  0  0  0
 23 22  1  1  0  0  0
M  END
> <LM_ID>
LMST01080042

> <COMMON_NAME>
Prazerigenin A

> <SYSTEMATIC_NAME>
(25R)-spirost-5-en-3beta,14alpha-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>
WWHAXDOZLPIUEY-SLPSHSHKSA-N

> <INCHI>
InChI=1S/C27H42O4/c1-16-7-12-27(30-15-16)17(2)23-22(31-27)14-26(29)21-6-5-18-13-19(28)8-10-24(18,3)20(21)9-11-25(23,26)4/h5,16-17,19-23,28-29H,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(O)[C@]3([H])CC=2)CC[C@@H](C)CO6)C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178610

> <ABBREVIATION>
ST 27:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13833781

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
323674

> <CITATION>
-

$$$$