LMST01031200
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    8.3681    8.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4438    8.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4438    7.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3681    6.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2924    7.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166    6.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1410    7.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1410    8.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166    8.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2924    8.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166    9.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1410   10.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0651    9.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0651    8.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9139    8.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9139    9.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9895   10.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0651   10.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2924    8.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9895   11.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1203   11.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7289   11.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4684   11.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9471   11.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1410    9.0129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0651    7.8112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5881   10.5858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9895   12.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166    7.8288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6332    6.5704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2924    5.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2078   11.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2078   12.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3681    5.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166    5.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6105    7.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9472   10.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8003   11.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6537   11.0942    0.0000 O   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  1  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 32  1  0  0  0  0
 32 24  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
  8 25  1  1  0  0  0
 14 26  1  6  0  0  0
 17 27  1  6  0  0  0
 20 28  1  1  0  0  0
  9 29  1  6  0  0  0
  3 30  1  1  0  0  0
  5 31  1  6  0  0  0
 32 33  2  0  0  0  0
  4 34  1  1     0  0
  6 35  1  6     0  0
 15 36  1  1     0  0
 24 37  1  1     0  0
 24 38  1  0     0  0
 38 39  1  0     0  0
M  END
> <LM_ID>
LMST01031200

> <COMMON_NAME>
Certonardosterol B

> <SYSTEMATIC_NAME>
(25S)-24-methylene-5alpha-cholestan-3beta,4beta,6alpha,15beta,26-pentol

> <FORMULA>
C28H48O5

> <MASS>
464.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NJTYOAHMFCPZLI-GFJGGNKHSA-N

> <INCHI>
InChI=1S/C28H48O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h16-26,29-33H,1,6-14H2,2-5H3/t16-,17-,18-,19+,20-,21+,22+,23-,24-,25+,26+,27-,28-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21629545

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
60563

> <CITATION>
12662097

$$$$