LMST01031389
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.8472   -8.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9345   -9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9345  -10.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8472  -10.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7600  -10.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6729  -10.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5858  -10.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5858   -9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6729   -8.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7600   -9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6729   -7.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5858   -7.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4985   -7.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4985   -8.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3242   -8.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3242   -7.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4114   -7.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4985   -6.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7600   -8.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4114   -6.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -5.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0026   -6.8865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2814  -10.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4985   -9.6267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5530   -6.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -4.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9783   -4.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9783   -3.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8150   -3.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1417   -3.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3050   -4.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8150   -4.9967    0.0000 C   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  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 20  1  0     0  0
 20 21  2  0     0  0
  1 10  1  0     0  0
  5 10  1  0     0  0
  9 10  1  0     0  0
  8 14  1  0     0  0
 13 17  1  0     0  0
 13 18  1  1     0  0
 10 19  1  1     0  0
 17 22  1  6     0  0
  3 23  1  1     0  0
 14 24  1  6     0  0
 20 25  1  0     0  0
 21 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 28 30  1  0     0  0
 26 31  1  6     0  0
 27 32  1  1     0  0
M  END
> <LM_ID>
LMST01031389

> <COMMON_NAME>
Periconoid B

> <SYSTEMATIC_NAME>
ergosta-5,7,9(11),20(22)E-tetraen-3beta,23R-diol

> <FORMULA>
C28H42O2

> <MASS>
410.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KJLCTACLLMRGTM-UIAMCBAHSA-N

> <INCHI>
InChI=1S/C28H42O2/c1-17(2)19(4)26(30)15-18(3)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7-8,12,15,17,19,21,23-24,26,29-30H,9-11,13-14,16H2,1-6H3/b18-15+/t19-,21+,23-,24+,26+,27+,28-/m1/s1

> <SMILES>
C1[C@]2(C)C3=CC[C@]4(C)[C@@]([H])(/C(/C)=C/[C@H](O)[C@H](C)C(C)C)CC[C@@]4([H])C3=CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2491360

> <CITATION>
42505992

$$$$