LMST01031268
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
    7.3475   -3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2222   -3.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2222   -4.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3475   -5.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728   -4.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4728   -3.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0968   -3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9714   -3.7368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9714   -4.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0968   -5.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0967   -2.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9713   -1.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8462   -2.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8462   -3.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7207   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5955   -2.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5956   -3.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7207   -0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5954   -0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8461   -0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4700   -0.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3446   -0.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2194   -0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0941   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2194   -1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8462   -1.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3331   -1.3909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8714   -4.0650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5983   -5.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3445    0.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2222   -2.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2222   -5.7567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8375   -5.2468    0.0000 O   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  1  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  2  0     0  0
  8  9  1  0     0  0
  9 10  1  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
 14 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  2  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
 13 26  1  1     0  0
 15 27  1  6     0  0
 14 28  1  6     0  0
  5 29  1  1     0  0
 22 30  1  6     0  0
  2 31  1  1     0  0
  3 32  1  1     0  0
 10 32  1  1     0  0
  9 33  1  1     0  0
M  END
> <LM_ID>
LMST01031268

> <COMMON_NAME>
Ananstrep C

> <SYSTEMATIC_NAME>
5beta,6beta-epoxy-(22E,24R)-ergosta-8,22-diene-3beta,7beta-diol

> <FORMULA>
C28H44O3

> <MASS>
428.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PCIZFQVDNDHRPP-ISAQDLBESA-N

> <INCHI>
InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,24+,25+,26+,27+,28+/m0/s1

> <SMILES>
C1C[C@H](O)C[C@@]23O[C@@H]2[C@H](O)C2[C@]4([H])CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CCC=2[C@@]13C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
127044096

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
285454; 308461

> <CITATION>
27153073; 35031429

$$$$