LMST01031260
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.1149    8.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1835    7.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1835    6.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1149    6.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0460    6.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9775    6.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    6.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    7.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9775    8.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0460    7.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9775    9.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9088    9.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8400    9.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8400    8.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7031    8.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7031    9.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7717    9.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8400   10.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0460    8.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7717   10.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5171    6.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8842    8.3806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9572    7.4911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8400    7.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2605   10.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6340   11.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9845   11.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4962   10.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3585   11.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2208   10.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0831   11.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2208    9.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7749    6.0642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1150    9.1772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3585   12.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7750    5.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6411    4.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    4.5641    0.0000 C   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  2  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
  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
  3 21  1  1  0  0  0
  8 22  1  1  0  0  0
  9 23  1  6  0  0  0
 14 24  1  6  0  0  0
 17 25  1  6     0  0
 20 26  1  0     0  0
 20 27  1  6     0  0
 26 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 32  1  0     0  0
  7 33  1  1     0  0
  1 34  1  6     0  0
 29 35  2  0     0  0
 33 36  1  0     0  0
 36 37  2  0     0  0
 36 38  1  0     0  0
M  END
> <LM_ID>
LMST01031260

> <COMMON_NAME>
1alpha,3beta-dihydroxyergosta-5,24(28)-dien-7beta-yl acetate

> <SYSTEMATIC_NAME>
7beta-acetoxy-dihydroxyergosta-5,24(28)-dien-1alpha,3beta-diol

> <FORMULA>
C30H48O4

> <MASS>
472.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YFUNBZXZDHMRBJ-DQTBKWPISA-N

> <INCHI>
InChI=1S/C30H48O4/c1-17(2)18(3)8-9-19(4)23-10-11-24-28-25(12-13-29(23,24)6)30(7)21(14-22(32)16-27(30)33)15-26(28)34-20(5)31/h15,17,19,22-28,32-33H,3,8-14,16H2,1-2,4-7H3/t19-,22-,23-,24+,25+,26+,27+,28+,29-,30+/m1/s1

> <SMILES>
[C@@H]1(O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)CCC(=C)C(C)C)CC[C@@]4([H])[C@]3([H])[C@@H](OC(C)=O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118810

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2619369

> <CITATION>
31202682

$$$$