LMST01010643
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    5.8472   -8.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -8.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9225   -9.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8472  -10.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -9.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965  -10.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -9.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -8.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -8.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -8.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965   -7.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -6.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -7.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -8.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3950   -8.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3950   -7.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -6.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -6.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -7.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6010   -5.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2101   -5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9498   -5.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6895   -5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692   -6.1685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4705   -4.7494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2613  -10.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6211   -7.7419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6763   -9.0137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -8.9442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5480   -5.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4065   -5.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5479   -6.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4871  -10.2173    0.0000 O   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  1  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  2  0  0  0  0
 23 24  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 25  1  6  0  0  0
 20 26  1  1  0  0  0
  3 27  1  1  0  0  0
  8 28  1  1  0  0  0
  9 29  1  6  0  0  0
 14 30  1  6  0  0  0
 24 31  1  0     0  0
 31 32  1  0     0  0
 31 33  1  0     0  0
  7 34  1  6     0  0
M  END
> <LM_ID>
LMST01010643

> <COMMON_NAME>
7alpha-Hydroxy-22-dehydrocholesterol

> <SYSTEMATIC_NAME>
Cholesta-5,22E-dien-3beta,7alpha-diol

> <FORMULA>
C27H44O2

> <MASS>
400.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KEMRDWDNECVERP-YUYWEABFSA-N

> <INCHI>
InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h6,8,16-18,20-25,28-29H,7,9-15H2,1-5H3/b8-6+/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
156155

> <ABBREVIATION>
ST 27:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283661

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
395614

> <CITATION>
-

$$$$