LMST01031218
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.7288   -8.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6002   -9.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6002  -10.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7288  -10.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8574  -10.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8574   -9.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4717   -8.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3431   -9.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3431  -10.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4717  -10.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4716   -7.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3430   -7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2143   -7.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2143   -8.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0857   -7.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9572   -7.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9573   -8.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0857   -6.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9571   -5.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2142   -5.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8284   -6.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6999   -5.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5714   -6.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5714   -7.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4427   -5.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4717   -9.6092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6002  -11.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3301   -8.7326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4717  -11.9989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861  -10.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6879   -8.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3020   -6.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8285   -7.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6998   -4.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1773   -9.6996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9534   -8.0610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3760   -8.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 15 18  2  0     0  0
 18 19  1  0     0  0
 18 20  1  0     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
  7 26  1  6     0  0
  3 27  1  6     0  0
  8 28  1  1     0  0
 10 29  1  1     0  0
  5 30  1  1     0  0
  2 31  1  1     0  0
 13 32  1  1     0  0
 21 33  1  6     0  0
 22 34  1  6     0  0
 14 35  1  6     0  0
 16 36  1  6     0  0
 36 37  1  0     0  0
M  END
> <LM_ID>
LMST01031218

> <COMMON_NAME>
Ehrensteroid D

> <SYSTEMATIC_NAME>
16alpha-methoxy-23R,24R-dimethylcholesta-17(20)E-en-3beta,5alpha,6beta-triol

> <FORMULA>
C30H52O4

> <MASS>
476.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OTAXHEKGJGMOJG-ZGRGKABFSA-N

> <INCHI>
InChI=1S/C30H52O4/c1-17(2)20(5)18(3)13-19(4)27-25(34-8)15-24-22-14-26(32)30(33)16-21(31)9-12-29(30,7)23(22)10-11-28(24,27)6/h17-18,20-26,31-33H,9-16H2,1-8H3/b27-19+/t18-,20-,21+,22-,23+,24+,25-,26-,28+,29-,30+/m1/s1

> <SMILES>
C1C[C@H](O)C[C@]2(O)[C@H](O)C[C@@]3([H])[C@]4([H])C[C@@H](OC)/C(=C(/C)\C[C@@H](C)[C@H](C)C(C)C)/[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120127

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
358800

> <CITATION>
34662651

$$$$