LMST01010301
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0  0  0  0  0  0  0  0999 V2000
    9.0680    6.2212    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0634    7.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3540    7.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3613    6.6274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7806    7.4542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7775    6.6347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1965    6.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1992    7.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4913    7.8643    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0656    7.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7546    8.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4824    8.6612    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4924    9.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8797    8.6594    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2655    8.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7766    5.8382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2655    7.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6563    6.2212    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6563    5.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3613    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0680    5.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9556    6.6257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2551    6.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2551    5.4123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9556    5.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6563    7.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1904    8.1738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8580    9.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3613    5.8184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9596    9.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5740    9.0570    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5740    9.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1884    9.0619    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8930    9.4687    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 34  1  0  0  0  0
 12 13  1  1  0  0  0
 34 14  1  0  0  0  0
 14 32  1  0  0  0  0
 32 15  1  0  0  0  0
 15 31  1  0  0  0  0
  6 16  1  6  0  0  0
 15 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21  1  1  0  0  0  0
 18 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 19  1  0  0  0  0
 18 26  1  1  0  0  0
 24 27  1  1  0  0  0
  9 28  1  6  0  0  0
 12 29  1  6  0  0  0
  4 30  1  6  0  0  0
 32 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 14  1  0  0  0  0
M  END
> <LM_ID>
LMST01010301

> <COMMON_NAME>
22,23-epoxycampesterol

> <SYSTEMATIC_NAME>
22,23-epoxycampest-5-en-3beta-ol

> <FORMULA>
C28H46O2

> <MASS>
414.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
22,23-epoxy-24S-methylcholest-5-en-3beta-ol

> <INCHI_KEY>
ZPODYVOEXOEZAC-RHVMODGISA-N

> <INCHI>
InChI=1S/C28H46O2/c1-16(2)17(3)25-26(30-25)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h7,16-18,20-26,29H,8-15H2,1-6H3/t17-,18-,20-,21-,22+,23-,24-,25?,26?,27-,28+/m0/s1

> <SMILES>
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])C3OC3[C@@H](C)C(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931322

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2642121

> <CITATION>
-

$$$$