LMST01031392
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
   10.7375   -8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7319   -6.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8604   -6.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8692   -7.9257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6127   -6.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092   -7.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3523   -7.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3559   -6.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4860   -6.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7347   -7.4372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5809   -5.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4752   -5.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3424   -4.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4873   -4.4394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1919   -5.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0447   -4.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8941   -5.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7470   -4.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6842   -8.5653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8941   -6.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030   -8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030   -9.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8692   -9.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375   -9.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1423   -7.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2816   -8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2816   -9.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1423   -9.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0030   -7.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4209   -9.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1165   -6.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7079   -4.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7252   -5.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0483   -3.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5982   -9.9242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  1 10  1  1     0  0
  5 11  1  1     0  0
  9 12  1  0     0  0
 12 13  1  0     0  0
 12 14  1  1     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  6 19  1  6     0  0
 17 20  1  0     0  0
  4 21  1  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24  1  1  0     0  0
 21 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 22  1  0     0  0
 21 29  1  1     0  0
 27 30  1  1     0  0
  9 31  1  6     0  0
 12 32  1  6     0  0
  2 33  1  6     0  0
 16 34  1  6     0  0
 24 35  1  6     0  0
M  END
> <LM_ID>
LMST01031392

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(24S)-methyl-3beta,7alpha,12alpha-trihydroxy-cholest-5(6),9(11)-dien

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Ergosta-5,9(11)-dien-3beta,7alpha,12alpha-triol

> <INCHI_KEY>
ZTMHQYKLRNPUMQ-OXYUAQQLSA-N

> <INCHI>
InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-26-23(15-25(31)28(21,22)6)27(5)12-11-20(29)13-19(27)14-24(26)30/h14-18,20-22,24-26,29-31H,7-13H2,1-6H3/t17-,18+,20-,21+,22-,24+,25-,26-,27-,28+/m0/s1

> <SMILES>
[C@]12([C@H](O)C=C3C[C@@H](O)CC[C@]3(C)C1=C[C@H](O)[C@]1(C)[C@@]([H])([C@@](C)([H])CC[C@H](C)C(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3122587

> <CITATION>
42524205

$$$$