LMST01070025
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
    5.3529   -7.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2126   -7.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2126   -8.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3529   -9.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4938   -8.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4938   -7.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718   -7.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9312   -7.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9312   -8.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718   -9.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0717   -6.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9311   -5.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904   -6.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904   -7.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5092   -6.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5093   -7.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6501   -5.9637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6501   -4.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3688   -5.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2126   -6.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904   -5.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345   -9.4370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9930   -7.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1089   -8.1183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8027   -8.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9136   -4.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3688   -4.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0790   -4.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0554   -4.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7656   -3.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3214   -5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0878   -3.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9421   -4.0391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2467   -5.6104    0.0000 H   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  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  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  2  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
 17 18  1  0     0  0
  2 20  1  1     0  0
 13 21  1  1     0  0
  5 22  1  1     0  0
 15 19  1  1     0  0
  8 23  1  1     0  0
  7 24  1  6     0  0
 14 25  1  6     0  0
 18 26  1  6     0  0
 19 27  1  0     0  0
 18 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 29 31  1  0     0  0
 28 32  1  1     0  0
 27 33  1  1     0  0
 17 34  1  6     0  0
M  END
> <LM_ID>
LMST01070025

> <COMMON_NAME>
Verrucorosteroid D

> <SYSTEMATIC_NAME>
24-nor-furost-5-en-3beta,23S-diol

> <FORMULA>
C26H42O3

> <MASS>
402.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Furostanols and derivatives [ST0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GXEGLKFHCXONNK-SAANOWOMSA-N

> <INCHI>
InChI=1S/C26H42O3/c1-14(2)23(28)24-15(3)22-21(29-24)13-20-18-7-6-16-12-17(27)8-10-25(16,4)19(18)9-11-26(20,22)5/h6,14-15,17-24,27-28H,7-13H2,1-5H3/t15-,17-,18+,19-,20-,21-,22-,23-,24+,25-,26-/m0/s1

> <SMILES>
C1C[C@H](O)CC2=CC[C@@]3([H])[C@]4([H])C[C@@H]5O[C@@]([H])([C@@H](O)C(C)C)[C@@H](C)[C@]5([H])[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 26:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163109168

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
361134

> <CITATION>
30018002

$$$$