LMST01031190
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.7968    4.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6650    4.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6650    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7968    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9287    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9287    4.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5332    4.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4014    4.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4014    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5332    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5331    5.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    6.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    5.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    4.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1377    6.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0060    5.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0061    4.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1377    7.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0059    7.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2694    7.8196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8740    7.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7422    7.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6104    7.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7422    8.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6104    6.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4786    7.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0605    2.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6650    5.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    6.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6651    2.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8040    6.5334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1377    8.0452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5460    4.0638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5332    1.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3034    4.0962    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  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  1  0     0  0
  8  9  2  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
 22 24  1  6     0  0
 23 25  1  0     0  0
 23 26  1  0     0  0
  5 27  1  1     0  0
  2 28  1  1     0  0
 13 29  1  1     0  0
  3 30  1  6     0  0
 15 31  1  6     0  0
 18 32  1  1     0  0
  7 33  1  6     0  0
 10 34  2  0     0  0
 14 35  1  6     0  0
M  END
> <LM_ID>
LMST01031190

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(22E,24R)-ergosta-3beta,5alpha-dihydroxy-7,22-dien-6-one

> <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>
KAIVGEVOBNIWLR-QIBDZGQISA-N

> <INCHI>
InChI=1S/C28H44O3/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/h7-8,15,17-20,22-24,29,31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,26+,27+,28-/m0/s1

> <SMILES>
C1C[C@H](O)C[C@]2(O)C(=O)C=C3[C@]4([H])CC[C@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70336

> <ABBREVIATION>
ST 28:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15340727

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
28564

> <CITATION>
34087503

$$$$