LMST01031382
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0  0  0  0  0  0  0  0999 V2000
   10.7639   -8.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7584   -6.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9014   -6.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9101   -7.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6247   -6.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6212   -7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3353   -7.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3388   -6.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4834   -6.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5934   -5.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4727   -5.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3257   -4.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4847   -4.4976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1608   -5.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8349   -5.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6737   -4.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6201   -8.8793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8349   -6.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0582   -8.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0582   -9.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9101   -9.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7639   -9.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2118   -7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3654   -8.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3654   -9.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2118   -9.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5190   -9.8825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3281   -6.0576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7183   -4.9942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9997   -4.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0032   -3.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  5 10  1  1     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 11 13  1  1     0  0
 12 14  2  0     0  0
 15 16  1  0     0  0
  6 17  1  6     0  0
 15 18  1  0     0  0
  4 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22  1  2  0     0  0
 19 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 20  1  0     0  0
 25 27  1  1     0  0
  9 28  1  6     0  0
 11 29  1  6     0  0
 30 15  1  0     0  0
 14 30  1  0     0  0
 30 31  1  6     0  0
M  END
> <LM_ID>
LMST01031382

> <COMMON_NAME>
Neoergosterol

> <SYSTEMATIC_NAME>
19-Norergosta-5,7,9,22-tetraen-3beta-ol

> <FORMULA>
C27H40O

> <MASS>
380.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MNMJPUHGVUDRCV-DOOCTISASA-N

> <INCHI>
InChI=1S/C27H40O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h6-8,10,17-19,21,25-26,28H,9,11-16H2,1-5H3/b7-6+/t18-,19+,21-,25+,26-,27+/m0/s1

> <SMILES>
C12=CC=C3C[C@@H](O)CCC3=C1CC[C@]1(C)[C@@]([H])([C@@](C)([H])/C=C/[C@H](C)C(C)C)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10571850

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4837

> <CITATION>
9868149

$$$$