LMST01060007
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.9084    6.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1191    6.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1191    5.5925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9084    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6976    5.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2764    5.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2764    6.5039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4869    6.9595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6976    6.5039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4869    7.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2764    8.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0656    7.8709    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0656    6.9595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6443    6.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6443    7.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8551    8.3267    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0656    8.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6976    7.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8551    9.0560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1127    9.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4864    9.4204    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1180    9.0560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7492    9.4204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3807    9.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0122    9.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3807    8.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3662    8.6220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8551    9.8334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7480    9.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2764    7.2786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698    6.1929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0656    6.2525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0565    9.7690    0.0000 C   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  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
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
 22 35  1  1  0  0  0
 23 35  1  1  0  0  0
M  END
> <LM_ID>
LMST01060007

> <COMMON_NAME>
23-demethylgorgosterol

> <SYSTEMATIC_NAME>
23-demethylgorgost-5-en-3beta-ol

> <FORMULA>
C29H48O

> <MASS>
412.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Gorgosterols and derivatives [ST0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CMQUZVIEHACIBO-GELRKQERSA-N

> <INCHI>
InChI=1S/C29H48O/c1-17(2)18(3)23-16-24(23)19(4)25-9-10-26-22-8-7-20-15-21(30)11-13-28(20,5)27(22)12-14-29(25,26)6/h7,17-19,21-27,30H,8-16H2,1-6H3/t18-,19-,21+,22+,23-,24-,25-,26+,27+,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)[C@H]5C[C@@H]5[C@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931414

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2951

> <CITATION>
-

$$$$