LMST01031027
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.3564    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4099    7.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4099    6.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3564    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3031    6.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2499    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1966    6.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1966    7.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2499    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3031    7.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2499    9.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1966   10.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430    9.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0365    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0365    9.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0899   10.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430   10.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3031    8.6329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0899   10.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1996   11.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8471   11.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6046   10.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3618   11.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1190   10.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8764   11.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1190   10.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7029   10.4076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0899   11.8607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3602   11.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    7.4947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1430    7.5659    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  2  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  1  6  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
M  END
> <LM_ID>
LMST01031027

> <COMMON_NAME>
22-dihydroergosterol

> <SYSTEMATIC_NAME>
Ergosta-5,7-dien-3beta-ol

> <FORMULA>
C28H46O

> <MASS>
398.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Provitamin D4

> <INCHI_KEY>
ZKQRGSXITBHHPC-VVQHAZRASA-N

> <INCHI>
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](C)C(C)C)CC[C@@]4([H])C3=CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66918

> <ABBREVIATION>
ST 28:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000000466

> <PUBCHEM_COMPOUND_ID>
5326970

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
27292

> <CITATION>
708751

$$$$