LMST01070026
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    5.3579   -7.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2184   -7.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2184   -8.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3579   -9.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980   -8.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980   -7.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0784   -7.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9386   -7.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9386   -8.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0784   -9.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0783   -6.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9385   -5.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7986   -6.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7986   -7.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5190   -6.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5191   -7.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6591   -5.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6591   -4.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3794   -5.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2184   -6.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7986   -5.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   -9.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0005   -7.2145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1155   -8.1259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   -8.2002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9219   -4.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3794   -4.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0903   -4.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0676   -4.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7784   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3338   -5.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991   -3.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9523   -4.0429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2563   -5.6156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7457   -4.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5148   -2.8146    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  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
 30 35  1  0     0  0
 30 36  1  0     0  0
M  END
> <LM_ID>
LMST01070026

> <COMMON_NAME>
Verrucorosteroid E

> <SYSTEMATIC_NAME>
24-methyl-furost-5-en-3beta,23S-diol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Furostanols and derivatives [ST0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KJXSPDIJSWUDLG-BUKIVYAESA-N

> <INCHI>
InChI=1S/C28H46O3/c1-15(2)16(3)25(30)26-17(4)24-23(31-26)14-22-20-8-7-18-13-19(29)9-11-27(18,5)21(20)10-12-28(22,24)6/h7,15-17,19-26,29-30H,8-14H2,1-6H3/t16?,17-,19-,20+,21-,22-,23-,24-,25-,26+,27-,28-/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)C)[C@@H](C)[C@]5([H])[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
361134

> <CITATION>
30018002

$$$$