LMST01100034
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0     0  0            999 V2000
   11.1688   10.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2722   10.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2811    9.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0754   10.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0716    9.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8653    9.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8692   10.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9739   10.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9629   11.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8554   12.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9756   12.7083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7293   11.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6071   12.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4812   11.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3589   12.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4812   10.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3898    8.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3898    7.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2811    7.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1745    7.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5040    9.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6182    8.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6182    7.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5040    7.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8578   11.0759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1734   12.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0925    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8877    6.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3898    6.6944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6096    9.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0754   10.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0716    8.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1745    8.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1745    9.6302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0925    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5925    5.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5925    5.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7257   10.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 34  3  1  0  0  0  0
 34  5  1  0  0  0  0
  4  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 34  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  1  0  0  0  0
 23 25  1  1  0  0  0
  8 26  1  6  0  0  0
  9 27  1  6  0  0  0
 24 28  1  6  0  0  0
 24 29  1  0  0  0  0
 18 30  1  6  0  0  0
 17 31  1  1  0  0  0
  3 31  1  1  0  0  0
  4 32  1  1  0  0  0
  5 33  1  6  0  0  0
 34 35  1  1  0  0  0
 28 36  1  0     0  0
 28 37  2  0     0  0
 36 38  1  0     0  0
 12 39  2  0     0  0
M  END
> <LM_ID>
LMST01100034

> <COMMON_NAME>
Galaxaurol A

> <SYSTEMATIC_NAME>
methyl 3beta-hydroxy-23-oxocycloart-24-en-29-oate

> <FORMULA>
C31H48O4

> <MASS>
484.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cycloartanols and derivatives [ST0110]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WCTQNJIEOIIOLD-DBSFMEOISA-N

> <INCHI>
InChI=1S/C31H48O4/c1-19(2)16-21(32)17-20(3)22-10-12-28(5)23-8-9-24-29(6,26(34)35-7)25(33)11-13-30(24)18-31(23,30)15-14-27(22,28)4/h16,20,22-25,33H,8-15,17-18H2,1-7H3/t20-,22-,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1

> <SMILES>
C1C[C@@]23C[C@]42CC[C@H](O)[C@@](C)(C(=O)OC)[C@]4([H])CC[C@@]3([H])[C@]2(C)CC[C@]([H])([C@@](C)([H])CC(=O)/C=C(\C)/C)[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 31:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163114753

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2645085

> <CITATION>
15621603

$$$$