LMST04030222
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    8.0266    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6245    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6245   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417    8.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0295    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    7.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6245    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906   10.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    7.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1737   11.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3077   11.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9060   11.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9060   10.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7719   11.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5756   11.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   11.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0398   11.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4417   10.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3077   10.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6380   11.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7719   12.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0  0  0  0
 17 28  1  0  0  0  0
 17  9  1  0  0  0  0
 16 15  1  0  0  0  0
 16 10  1  0  0  0  0
 13  8  1  0  0  0  0
 13  7  1  0  0  0  0
 15 13  1  0  0  0  0
 15  6  2  0  0  0  0
  7  4  1  0  0  0  0
  7 12  1  1  0  0  0
  7  1  1  0  0  0  0
 11 28  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
  5  6  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  2  1  1  0  0  0  0
 30  3  1  0  0  0  0
 30  2  1  0  0  0  0
 13 14  1  6  0  0  0
 16 19  1  6  0  0  0
 17 18  1  1  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 21 26  1  0  0  0  0
 26 28  1  0  0  0  0
 22 27  1  0  0  0  0
 24 22  1  0  0  0  0
 22 23  1  1  0  0  0
 26 25  1  6  0  0  0
 28 29  1  6  0  0  0
 30 31  2  0  0  0  0
  4 32  1  6  0  0  0
 24 33  1  0  0  0  0
 24 34  2  0  0  0  0
M  END
> <LM_ID>
LMST04030222

> <COMMON_NAME>
(25S)-Delta(7)-dafachronic acid

> <SYSTEMATIC_NAME>
(25S)-3-oxocholest-7-en-26-oic acid

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SQTAVUCHOVVOFD-OBRBSRNPSA-N

> <INCHI>
InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1

> <SMILES>
C1CC(=O)C[C@]2([H])CC=C3[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)CCC[C@H](C)C(=O)O)CC[C@]13[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
71556

> <ABBREVIATION>
ST 27:3;O3

> <CAYMAN_ID>
14101

> <SWISSLIPIDS_ID>
SLM:000000044

> <PUBCHEM_COMPOUND_ID>
23583984

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
17163670

$$$$