LMST01031087
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.5989    9.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7081    8.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7081    7.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3796    9.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4894    8.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3796   10.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2704   10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606   10.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    9.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0511   10.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606   10.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4894    9.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0511   11.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2138   11.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7635   11.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4759   11.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8225   11.0594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0511   12.3870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2704    8.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9414   10.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2704    7.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3796    7.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4894    7.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9006   10.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7907   12.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9006   11.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4894    6.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5989    7.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5989    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9414    9.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6686    8.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4184    8.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1882   11.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1882   12.9493    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 29  1  0  0  0  0
 24 29  1  0  0  0  0
 20 22  1  0  0  0  0
 20  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 31  1  0  0  0  0
 31 21  1  0  0  0  0
 10 21  1  0  0  0  0
 10 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 34  1  0  0  0  0
 34 27  1  0  0  0  0
  5  1  1  0  0  0  0
  5 24  1  0  0  0  0
  4  5  1  0  0  0  0
 20  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  1  0  0  0
  5 12  1  1  0  0  0
 13 14  1  0  0  0  0
 10 17  1  6  0  0  0
 13 18  1  1  0  0  0
  4 33  1  6  0  0  0
  3 19  1  1  0  0  0
 24 23  1  0  0  0  0
 24 28  1  6  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  1  0  0  0
 23 22  1  0  0  0  0
 34 35  1  1  0  0  0
M  END
> <LM_ID>
LMST01031087

> <COMMON_NAME>
Conicasterol D

> <SYSTEMATIC_NAME>
4-methylene-5alpha-campest-8(14)-en-3beta,9alpha,15beta-triol

> <FORMULA>
C29H48O3

> <MASS>
444.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-methylene-24R-methylcholest-8(14)-en-3beta,9alpha,15beta-triol

> <INCHI_KEY>
CKFFPLRELSUIHH-XAHNCEBCSA-N

> <INCHI>
InChI=1S/C29H48O3/c1-17(2)18(3)8-9-19(4)23-16-25(31)26-22-11-10-21-20(5)24(30)12-13-28(21,7)29(22,32)15-14-27(23,26)6/h17-19,21,23-25,30-32H,5,8-16H2,1-4,6-7H3/t18-,19-,21+,23-,24+,25-,27-,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3(O)CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)C[C@@H](O)C4=C3CC[C@@]2([H])C(=C)[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187921

> <ABBREVIATION>
ST 29:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931376

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
37505

> <CITATION>
21428459

$$$$