LMST01031110
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
   10.8912   10.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0506    9.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0591    8.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7408    9.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374    8.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4189    8.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4223    9.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5832   10.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7408   10.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5729   11.3391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5729   12.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7374    8.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2235    8.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0591    7.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8966    7.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3933    8.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5631    8.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3933    7.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2235    9.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2432   10.7757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8328   11.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0591    8.1739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5631    7.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.0095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2235    7.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8966    8.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2113    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5575    7.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4093   11.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3681   11.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1985   10.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1985   11.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0288   11.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8593   11.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 26  3  1  0  0  0  0
 26  5  1  0  0  0  0
  4  1  1  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  4  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 29  1  0  0  0  0
 10 11  1  1  0  0  0
  5 12  1  6  0  0  0
  3 13  1  0  0  0  0
 13 25  1  0  0  0  0
 25 14  1  0  0  0  0
 14 15  2  0  0  0  0
 26 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 23 18  1  0  0  0  0
 18 25  1  0  0  0  0
 13 19  1  1  0  0  0
  8 20  1  6  0  0  0
 10 21  1  0  0  0  0
  3 22  1  6  0  0  0
 23 24  1  1  0  0  0
 25 27  1  6  0  0  0
 26 28  1  6  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 30 32  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMST01031110

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5alpha,8alpha-epidioxy-24-methyl-27-nor-cholest-6,22Z-dien-3beta-ol

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22Z)-5alpha,8alpha-epidioxy-24-methyl-27-nor-cholesta-6,22-dien-3beta-ol

> <INCHI_KEY>
RMCNEIUNJZPGIG-HUTBDJSTSA-N

> <INCHI>
InChI=1S/C27H42O3/c1-6-18(2)7-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h7-8,15-16,18-23,28H,6,9-14,17H2,1-5H3/b8-7-/t18?,19-,20+,21-,22-,23-,24-,25-,26-,27+/m1/s1

> <SMILES>
C1C[C@]2([H])[C@@]3(C)CC[C@H](O)C[C@]43OO[C@@]2(C=C4)[C@]2([H])CC[C@]([H])([C@@](C)([H])/C=C\C(CC)C)[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173014

> <ABBREVIATION>
ST 27:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25208631

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
317547

> <CITATION>
18851985

$$$$