LMST01010013
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    9.0866    6.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0820    8.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3689    7.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    6.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8029    7.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    6.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2263    6.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292    7.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5175    8.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0843    7.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7768    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5086    8.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2182    9.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5186    9.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9133    8.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6112    9.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3063    8.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0041    9.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7991    6.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3063    8.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6673    6.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6673    5.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    5.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0866    5.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630    6.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587    6.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587    5.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9630    5.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6673    7.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2202    8.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8808    9.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    6.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5318    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  6  0  0  0
 17 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
 21 29  1  1  0  0  0
 27 30  1  1  0  0  0
  9 31  1  6  0  0  0
 12 32  1  6  0  0  0
  4 33  1  6  0  0  0
 24 34  1  6  0  0  0
M  END
> <LM_ID>
LMST01010013

> <COMMON_NAME>
7alpha-hydroxy-cholesterol

> <SYSTEMATIC_NAME>
cholest-5-en-3beta,7alpha-diol

> <FORMULA>
C27H46O2

> <MASS>
402.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OYXZMSRRJOYLLO-RVOWOUOISA-N

> <INCHI>
InChI=1S/C27H46O2/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/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1

> <SMILES>
[C@]12([C@H](O)C=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
C03594

> <HMDB_ID>
HMDB01496

> <CHEBI_ID>
17500

> <ABBREVIATION>
ST 27:1;O2

> <CAYMAN_ID>
20098

> <SWISSLIPIDS_ID>
SLM:000000996

> <PUBCHEM_COMPOUND_ID>
107722

> <LIPIDBANK_ID>
SST9032

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 10090

> <CITATION>
20671299; 20574076

$$$$