LMST04040011
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0     0  0            999 V2000
    5.4858   -7.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3669   -8.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3669   -9.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4858   -9.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054   -9.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054   -8.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475   -7.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1281   -8.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1281   -9.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475   -9.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2474   -6.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1280   -6.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0087   -6.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0087   -7.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7704   -6.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7705   -7.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8899   -6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3669   -7.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0087   -5.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7249   -9.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1916   -7.3868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2854   -8.3201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0215   -8.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5013   -5.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1399   -5.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5601   -4.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0361   -4.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6212   -5.8235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3440   -7.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7715   -4.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6860   -4.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4936   -4.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4081   -4.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2158   -3.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5149   -5.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3868   -3.1825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7928   -5.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1303   -4.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3402   -7.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 15 16  1  0     0  0
 14 16  1  0     0  0
 13 17  1  0     0  0
 17 15  1  0     0  0
  2 18  1  1     0  0
 13 19  1  1     0  0
  5 20  2  0     0  0
  8 21  1  1     0  0
  7 22  1  6     0  0
 14 23  1  6     0  0
 17 24  1  6     0  0
 17 25  1  0     0  0
 25 26  1  6     0  0
 25 27  1  0     0  0
 27 28  1  6     0  0
 15 28  1  1     0  0
 15 29  1  0     0  0
 27 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 33 35  2  0     0  0
 32 36  1  1     0  0
 31 37  1  1     0  0
 34 38  1  0     0  0
 29 39  1  0     0  0
M  END
> <LM_ID>
LMST04040011

> <COMMON_NAME>
Sinubrasone B

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H44O5

> <MASS>
484.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C28 bile acids, alcohols, and derivatives [ST0404]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
STVGBEWVMONSSB-YBTIPCAHSA-N

> <INCHI>
InChI=1S/C30H44O5/c1-17(18(2)27(32)33-6)14-25-19(3)26-29(5)13-11-23-22(24(29)16-30(26,34-7)35-25)9-8-20-15-21(31)10-12-28(20,23)4/h10,12,15,17-19,22-26H,8-9,11,13-14,16H2,1-7H3/t17-,18+,19+,22+,23-,24-,25-,26+,28-,29-,30-/m0/s1

> <SMILES>
C1=CC(=O)C=C2CC[C@@]3([H])[C@]4([H])C[C@]5(OC)O[C@@H](C[C@H](C)[C@@H](C)C(=O)OC)[C@@H](C)[C@]5([H])[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:5;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
668394

> <CITATION>
35031429

$$$$