LMST01031321
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    8.6486    9.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7684    9.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7684    8.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6486    7.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5285    8.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734    7.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2535    8.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2535    9.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734    9.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5285    9.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734   10.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2535   11.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0984   10.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0984    9.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8235    9.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8235   10.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9785   11.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0984   11.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5285    9.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9785   12.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0984   12.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8587   12.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7036   12.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5838   12.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4285   11.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4285   10.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3087   12.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6455   11.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734    6.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9785   13.0557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0984    8.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4898    7.2576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3734    8.8392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8587   13.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6077   13.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9057    9.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9057    7.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5107   11.0266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2946   11.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  1  0  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 28  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 29  6  2  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
  3  2  1  0  0  0  0
 14 31  1  6     0  0
 20 30  1  1  0  0  0
  5 32  1  1     0  0
  9 33  1  6     0  0
 22 34  1  6     0  0
 24 35  1  0     0  0
  2 36  1  1     0  0
  3 37  1  1     0  0
 11 38  1  6     0  0
 25 39  1  0     0  0
M  END
> <LM_ID>
LMST01031321

> <COMMON_NAME>
25-hydroxy-atrotosterone A

> <SYSTEMATIC_NAME>
2beta,3beta,11alpha,14alpha,20R,22R,25-heptahydroxy-24-methyl-5beta-cholest-7-en-6-one

> <FORMULA>
C28H46O8

> <MASS>
510.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FSNRQNKYLJDXMZ-UPLPEXDLSA-N

> <INCHI>
InChI=1S/C28H46O8/c1-14(24(2,3)34)9-22(33)27(6,35)21-7-8-28(36)16-11-17(29)15-10-18(30)19(31)12-25(15,4)23(16)20(32)13-26(21,28)5/h11,14-15,18-23,30-36H,7-10,12-13H2,1-6H3/t14?,15-,18+,19-,20+,21-,22+,23+,25-,26+,27+,28+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@]([H])([C@H](O)C[C@]4([C@@]3(O)CC[C@]4([H])[C@](O)(C)[C@H](O)CC(C)C(O)(C)C)C)[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
152743047

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
72122

> <CITATION>
-

$$$$