LMST01040286
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.4151    8.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4546    7.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4546    6.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151    6.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3755    6.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3359    6.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966    6.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966    7.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3359    8.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3755    7.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3359    9.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966    9.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2570    9.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2570    8.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1780    8.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1780    9.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2175    9.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2570   10.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3755    8.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2175   10.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3144   11.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9859   11.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7543   10.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5227   11.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2910   10.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0595   11.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2910   10.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8395   10.3330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2175   11.8072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7676    6.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5209   11.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9473   12.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966    8.6986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3150    7.3775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2570    7.4498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9912    6.2447    0.0000 O   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
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  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
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  1  1  0  0  0
 31 32  1  0  0  0  0
  8 33  1  1  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
  7 36  2  0     0  0
M  END
> <LM_ID>
LMST01040286

> <COMMON_NAME>
Decortinone

> <SYSTEMATIC_NAME>
7-oxo-stigmasta-5,25-dien-3beta-ol

> <FORMULA>
C29H46O2

> <MASS>
426.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HBBIPORYGNULJF-ZIHMWMKCSA-N

> <INCHI>
InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17,19-20,22-25,27,30H,2,7-16H2,1,3-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101664456

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
414126

> <CITATION>
-

$$$$