LMST01010639
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.6563   -7.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7861   -7.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6395   -8.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9243   -7.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777   -6.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7945   -9.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6521   -5.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9243   -8.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -7.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9158   -6.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777  -10.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0625   -9.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2134   -7.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2134   -8.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3388   -7.3697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3345   -9.3720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777   -8.3835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9158   -9.8791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5021   -7.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0920   -6.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5586   -6.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5586   -5.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5544   -7.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5544   -8.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3673   -5.4110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5088   -6.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2369   -5.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1009   -4.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5088   -5.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6448   -4.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3728   -4.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3728   -3.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8291   -4.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9650   -6.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9650   -5.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8291   -5.5525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5088   -4.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6486   -4.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  6  0  0  0
  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6  8  1  0  0  0  0
 21  7  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  1  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  1  0  0  0
 13 14  1  0  0  0  0
 14 16  1  1  0  0  0
 23 19  1  0  0  0  0
 19 20  1  0  0  0  0
 26 20  1  0  0  0  0
 26 21  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  1  0  0  0
 23 24  1  6  0  0  0
 26 25  1  6  0  0  0
 26 29  1  0  0  0  0
 31 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 35  1  0  0  0  0
 29 31  1  0  0  0  0
 29 30  1  6  0  0  0
 31 32  1  6  0  0  0
 35 33  1  0  0  0  0
 35 34  1  0  0  0  0
 35 36  1  0  0  0  0
 29 37  1  1     0  0
 30 38  1  0     0  0
M  END
> <LM_ID>
LMST01010639

> <COMMON_NAME>
Achyranthesterone A

> <SYSTEMATIC_NAME>
2beta,3beta,14alpha,20S,21,22R,25-heptahydroxycholest-7-en-6-one

> <FORMULA>
C27H44O8

> <MASS>
496.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UYDQOOHBGRAEBT-YPVLXUMRSA-N

> <INCHI>
InChI=1S/C27H44O8/c1-23(2,33)8-7-22(32)26(34,14-28)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,3)15(16)5-9-25(21,27)4/h11,15,17,19-22,28,30-35H,5-10,12-14H2,1-4H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1

> <SMILES>
C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@](O)(CO)[C@H](O)CCC(O)(C)C)[H])=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163070332

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
384659

> <CITATION>
15621624

$$$$