LMST01031320
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.6673    9.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    9.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    8.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6673    7.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5491    8.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    7.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2778    8.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2778    9.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    9.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5491    9.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958   10.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2778   11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   10.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    9.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8533    9.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8533   10.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0065   11.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   11.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5491   10.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0065   12.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   12.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8886   12.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7353   12.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6174   12.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4640   12.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4640   11.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3461   12.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6750   11.4393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    6.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0065   13.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    8.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5103    7.2733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3958    8.8583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8886   13.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6414   13.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9206    9.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9206    7.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312   11.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  1  0  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 28  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 29  6  2  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
  3  2  1  0  0  0  0
 14 31  1  6     0  0
 20 30  1  1  0  0  0
  5 32  1  1     0  0
  9 33  1  6     0  0
 22 34  1  6     0  0
 24 35  1  0     0  0
  2 36  1  1     0  0
  3 37  1  1     0  0
 11 38  1  6     0  0
M  END
> <LM_ID>
LMST01031320

> <COMMON_NAME>
Atrotosterone A

> <SYSTEMATIC_NAME>
2beta,3beta,11alpha,14alpha,20R,22R-hexahydroxy-24-methyl-5beta-cholest-7-en-6-one

> <FORMULA>
C28H46O7

> <MASS>
494.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SNXLRGKKELEIRO-KXQFVTLTSA-N

> <INCHI>
InChI=1S/C28H46O7/c1-14(2)15(3)9-23(33)27(6,34)22-7-8-28(35)17-11-18(29)16-10-19(30)20(31)12-25(16,4)24(17)21(32)13-26(22,28)5/h11,14-16,19-24,30-35H,7-10,12-13H2,1-6H3/t15?,16-,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@]([H])([C@H](O)C[C@]4([C@@]3(O)CC[C@]4([H])[C@](O)(C)[C@H](O)CC(C)C(C)C)C)[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15839569

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
72122

> <CITATION>
-

$$$$