LMST01040283
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.3716    8.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4161    7.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4161    6.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3716    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3270    6.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2380    6.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2380    7.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824    8.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3270    7.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2824    9.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2380    9.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935    9.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935    8.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1047    8.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1047    9.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1492    9.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935   10.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3270    8.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1492   10.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2505   11.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9135   11.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6779   10.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4423   11.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2066   10.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9711   11.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2066   10.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7680   10.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1492   11.7462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4406   11.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8648   12.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2380    8.6534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2615    7.3394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1935    7.4113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9135   12.2463    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  6  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
 22 36  1  4     0  0
M  END
> <LM_ID>
LMST01040283

> <COMMON_NAME>
22-hydroxyclerosterol

> <SYSTEMATIC_NAME>
Poriferasta-5,25-dien-3beta,22-ol

> <FORMULA>
C29H48O2

> <MASS>
428.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RCCAVDWSAAMGOP-FIVAUHATSA-N

> <INCHI>
InChI=1S/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,19-20,22-27,30-31H,2,7,9-17H2,1,3-6H3/t19-,20-,22-,23-,24+,25-,26-,27?,28-,29+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118843

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
317448

> <CITATION>
21617778

$$$$