LMST01031221
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.8475   -4.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7214   -5.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7214   -6.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8475   -6.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9738   -6.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9738   -5.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5953   -4.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4691   -5.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4691   -6.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5953   -6.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5952   -3.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4690   -3.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3428   -3.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3428   -4.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166   -3.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0904   -3.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0905   -4.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166   -2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0903   -1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3427   -1.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9642   -2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8380   -1.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7119   -2.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7119   -3.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5856   -1.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5953   -5.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7214   -7.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563   -4.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5953   -7.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -6.6437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094   -4.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4306   -2.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3679   -5.2757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8380   -0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9642   -3.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0563   -3.8752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8474   -3.6256    0.0000 O   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
 14 33  1  6     0  0
 22 34  1  6     0  0
 21 35  1  6     0  0
 16 36  1  1     0  0
  1 37  1  1     0  0
M  END
> <LM_ID>
LMST01031221

> <COMMON_NAME>
Lobophysterol C

> <SYSTEMATIC_NAME>
23R-methyl-ergosta-17(20)E-en-1beta,3beta,5alpha,6beta,16beta-pentaol

> <FORMULA>
C29H50O5

> <MASS>
478.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JTYTUJCFPOMDGR-VTJAFITISA-N

> <INCHI>
InChI=1S/C29H50O5/c1-15(2)18(5)16(3)10-17(4)26-23(31)13-22-20-12-25(33)29(34)14-19(30)11-24(32)28(29,7)21(20)8-9-27(22,26)6/h15-16,18-25,30-34H,8-14H2,1-7H3/b26-17+/t16-,18-,19+,20-,21+,22+,23+,24-,25-,27+,28+,29+/m1/s1

> <SMILES>
[C@@H]1(O)C[C@H](O)C[C@]2(O)[C@H](O)C[C@@]3([H])[C@]4([H])C[C@H](O)/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 29:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120457

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2646099

> <CITATION>
30513321

$$$$