LMST01031254
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.3496    8.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3913    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3913    6.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3496    6.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3076    6.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2660    6.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2243    6.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2243    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2660    8.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3076    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2660    9.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2243   10.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825    9.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825    8.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0995    8.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0995    9.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1411   10.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825   10.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3076    8.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1411   10.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2398   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9077   11.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6744   10.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4410   11.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2074   10.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   11.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1827   10.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7617   10.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1411   11.9027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    6.3582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4394   12.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1989    8.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2451    7.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825    7.7590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3076    5.7356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3497    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6943    8.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5690    9.9490    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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  6  0  0  0
 24 31  2  0  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
  5 35  1  6     0  0
  4 36  1  6     0  0
  2 37  1  6     0  0
 11 38  1  1     0  0
M  END
> <LM_ID>
LMST01031254

> <COMMON_NAME>
Hyrtiosterol

> <SYSTEMATIC_NAME>
4alpha-methyl-5alpha-cholest-22E,24(28)-dien-2alpha,3alpha,8beta,11beta-tetraol

> <FORMULA>
C29H48O4

> <MASS>
460.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KGGHMZWSJHYAPD-ODSJBIEFSA-N

> <INCHI>
InChI=1S/C29H48O4/c1-16(2)17(3)8-9-18(4)20-10-11-24-27(20,6)15-23(31)26-28(7)14-22(30)25(32)19(5)21(28)12-13-29(24,26)33/h8-9,16,18-26,30-33H,3,10-15H2,1-2,4-7H3/b9-8+/t18-,19+,20-,21+,22-,23+,24-,25+,26-,27-,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/C(=C)C(C)C)CC[C@@]4([H])[C@]3(O)CC[C@@]2([H])[C@H](C)[C@H](O)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11363169

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2642121

> <CITATION>
35031429

$$$$