LMST01031369
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.4609  -10.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269  -10.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269  -11.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4609  -12.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5949  -11.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5949  -10.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1930  -10.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0590  -10.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0590  -11.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1930  -12.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1929   -9.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0589   -8.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250   -9.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250  -10.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7910   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6571   -9.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6572  -10.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7910   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6570   -7.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9249   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5230   -7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3890   -7.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2551   -7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1211   -7.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2551   -8.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3890   -6.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7289  -12.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269   -9.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9250   -8.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0590   -9.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1808  -10.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8872  -10.9463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3321   -8.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  6     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
 22 26  1  6     0  0
  5 27  2  0     0  0
  2 28  1  1     0  0
 13 29  1  1     0  0
  8 30  1  1     0  0
  7 31  1  6     0  0
 14 32  1  6     0  0
 15 33  1  6     0  0
 14 17  1  0     0  0
M  END
> <LM_ID>
LMST01031369

> <COMMON_NAME>
22,23-dihydro isocyathisterol

> <SYSTEMATIC_NAME>
8beta-hydroxyergosta-4,6-diene-3-one

> <FORMULA>
C28H44O2

> <MASS>
412.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QZTIXRUINNTAHK-HFYCUKJCSA-N

> <INCHI>
InChI=1S/C28H44O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-27(23,6)15-13-25-26(5)14-12-22(29)17-21(26)11-16-28(24,25)30/h11,16-20,23-25,30H,7-10,12-15H2,1-6H3/t19-,20+,23+,24+,25+,26-,27+,28+/m0/s1

> <SMILES>
C1CC(=O)C=C2C=C[C@@]3(O)[C@@]4(CC[C@]([H])([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178334282

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2057917

> <CITATION>
39999915

$$$$