LMST01031340
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    5.1574   -4.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0122   -4.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0122   -5.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1574   -6.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3026   -5.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3026   -4.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7219   -4.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7219   -5.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -6.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670   -3.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218   -3.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5767   -3.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5767   -4.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315   -3.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2864   -3.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2865   -4.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315   -2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2863   -1.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1411   -2.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9959   -1.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8508   -2.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7056   -1.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8508   -3.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9959   -0.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766   -1.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2864   -2.5168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5767   -5.4781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0122   -6.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4478   -6.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -7.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0122   -3.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5767   -2.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7169   -2.5231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0009   -2.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1349   -1.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8669   -1.5040    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  2  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  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  0     0  0
 21 25  1  6     0  0
 18 26  1  6     0  0
 15 27  1  6     0  0
 14 28  1  6     0  0
  3 29  1  6     0  0
  5 30  2  0     0  0
 10 31  2  0     0  0
  2 32  1  1     0  0
 13 33  1  1     0  0
 22 34  1  0     0  0
 11 35  1  6     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 36 38  2  0     0  0
M  END
> <LM_ID>
LMST01031340

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(22E,24R)-11alpha-acetoxy-25-hydroxy,5alpha-ergosta-7,22-diene-3,6-dione

> <FORMULA>
C30H44O5

> <MASS>
484.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UBUHDBUDXLYTAK-NYVVHXDASA-N

> <INCHI>
InChI=1S/C30H44O5/c1-17(8-9-18(2)28(4,5)34)22-10-11-23-21-15-25(33)24-14-20(32)12-13-29(24,6)27(21)26(35-19(3)31)16-30(22,23)7/h8-9,15,17-18,22-24,26-27,34H,10-14,16H2,1-7H3/b9-8+/t17-,18+,22-,23+,24-,26-,27?,29+,30-/m1/s1

> <SMILES>
C1CC(=O)C[C@]2([H])C(=O)C=C3[C@]4([H])CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(O)(C)C)[C@@]4(C)C[C@@H](OC(=O)C)C3[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:5;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117813

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1974180

> <CITATION>
37676247

$$$$