LMST01031104
  LIPID_MAPS_STRUCTURE_DATABASE

 39 41  0  0  0  0  0  0  0  0999 V2000
    9.7998    8.2829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7968    7.4596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2222    7.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250    8.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5139    8.6948    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7737    9.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5049    9.4953    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5150   10.3028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7959    6.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658    7.0440    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0841    6.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9620    7.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2581    6.2316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9620    5.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2161    9.0057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8776    9.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658    6.2254    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6658    5.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2581    7.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658    7.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3741    7.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3741    8.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3741    5.8174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3741    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0794    8.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0794    9.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0841    7.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3715    9.9165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0797    9.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    9.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    8.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2139    9.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0313    9.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7392    8.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7392    9.4891    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4470   10.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4470    9.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1549    9.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 28  1  0  0  0  0
 28  2  1  0  0  0  0
  1 26  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7 33  1  0  0  0  0
  7  8  1  1  0  0  0
  2  9  1  6  0  0  0
 22 10  1  0  0  0  0
 10 18  1  0  0  0  0
 18 24  1  0  0  0  0
 24 11  1  0  0  0  0
 28 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 20  1  0  0  0  0
 20 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 10 21  1  1  0  0  0
 13 15  1  1  0  0  0
  5 16  1  6  0  0  0
  7 17  1  0  0  0  0
 18 19  1  6  0  0  0
 22 23  2  0  0  0  0
 24 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  2  0  0  0  0
 33 34  2  0  0  0  0
 34 36  1  0  0  0  0
 36 35  1  0  0  0  0
 36 38  1  0  0  0  0
 38 37  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <LM_ID>
LMST01031104

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-9,11-seco-5alpha-cholesta-7,22Z-dien-9-one. 

> <FORMULA>
C30H48O5

> <MASS>
488.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FROIKMSNOWQOFC-XZWVTAEMSA-N

> <INCHI>
InChI=1S/C30H48O5/c1-18(2)19(3)8-9-20(4)24-10-11-25(29(24,6)14-15-35-21(5)31)23-17-27(33)26-16-22(32)12-13-30(26,7)28(23)34/h8-9,17-20,22,24-27,32-33H,10-16H2,1-7H3/b9-8-/t19?,20-,22+,24-,25+,26-,27+,29-,30+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183606

> <ABBREVIATION>
ST 30:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45273389

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
317547

> <CITATION>
21152619

$$$$