LMST01010480
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.3619    8.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4383    8.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4383    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    6.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2856    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    6.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1328    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1328    8.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    8.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2856    8.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    9.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1328   10.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0562    9.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0562    8.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9036    8.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9036    9.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9799   10.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0562   10.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2856    8.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9799   11.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1113   11.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7188   11.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4577   11.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9354   11.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1328    9.0063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0562    7.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5781   10.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9799   11.9957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    7.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6283    6.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2856    5.9668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1966   11.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1966   12.5789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    5.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5997    7.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9355   10.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7880   11.5782    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  1  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
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 32  1  0  0  0  0
 32 24  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
 20 21  1  6  0  0  0
  8 25  1  1  0  0  0
 14 26  1  6  0  0  0
 17 27  1  6  0  0  0
 20 28  1  1  0  0  0
  9 29  1  6  0  0  0
  3 30  1  1  0  0  0
  5 31  1  6  0  0  0
 32 33  1  6  0  0  0
  6 34  1  6     0  0
 15 35  1  1     0  0
 24 36  1  0     0  0
 24 37  1  0     0  0
M  END
> <LM_ID>
LMST01010480

> <COMMON_NAME>
Certonardosterol G

> <SYSTEMATIC_NAME>
5alpha-cholest-22E-en-3beta,6alpha,15beta,24R-tetrol

> <FORMULA>
C27H46O4

> <MASS>
434.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PNJDDNGAXOYFJN-JMNWVQTPSA-N

> <INCHI>
InChI=1S/C27H46O4/c1-15(2)22(29)7-6-16(3)20-14-24(31)25-18-13-23(30)21-12-17(28)8-10-26(21,4)19(18)9-11-27(20,25)5/h6-7,15-25,28-31H,8-14H2,1-5H3/b7-6+/t16-,17+,18-,19+,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21629550

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
60563

> <CITATION>
12662097

$$$$