LMST01031231
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    5.7371   -3.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8055   -4.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8055   -5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7371   -6.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6692   -5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6011   -6.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5333   -5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5333   -4.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6011   -3.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6692   -4.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6011   -2.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5333   -2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4649   -2.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288   -3.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288   -2.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3969   -2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6692   -3.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3969   -1.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5205   -1.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1425   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8880   -1.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6337   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3788   -1.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1245   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3788   -2.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0006   -2.0096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3969   -0.5791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388   -5.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6692   -6.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6337   -0.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4410   -2.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6010   -7.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6011   -4.9733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4649   -3.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5493   -4.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
 13 16  1  0  0  0  0
 10 17  1  1  0  0  0
 18 19  1  6  0  0  0
 16 26  1  6  0  0  0
 18 27  1  1  0  0  0
  3 28  1  1  0  0  0
  5 29  1  6     0  0
 22 30  1  6     0  0
 13 31  1  1  0  0  0
  6 32  1  1     0  0
  9 33  1  6     0  0
  8 34  1  0  0  0  0
 34 14  1  0  0  0  0
 13 34  1  0  0  0  0
 34 35  1  6     0  0
M  END
> <LM_ID>
LMST01031231

> <COMMON_NAME>
Cerevisterol

> <SYSTEMATIC_NAME>
Ergosta-7, 22-dien-3beta,5alpha,6beta-triol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ARXHRTZAVQOQEU-BRVLHLJYSA-N

> <INCHI>
InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4([C@@]([H])(CC[C@]4([H])[C@]([H])(C)/C=C/[C@H](C)C(C)C)C3=C[C@@H](O)[C@@]2(O)C[C@@H](O)C1)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
68083

> <ABBREVIATION>
ST 28:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10181133

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
79798

> <CITATION>
-

$$$$