LMST03020642
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0  0  0  0  0  0  0  0999 V2000
    6.2648    6.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2648    5.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6913    5.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6913    6.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    6.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    7.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6913    7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6913    8.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4045    9.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4045    9.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6913   10.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    9.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    9.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    8.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6719    9.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878   10.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878   11.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9011   11.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6143   11.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4016    6.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4045    8.2877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0799   10.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4016    5.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4045   10.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4774   11.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3275   11.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7932   11.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7932   12.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5064   12.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5064   11.7598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5064   10.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2197   11.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9010   10.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878   11.8366    0.0000 H   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  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
  5 22  2  0  0  0  0
 19 20  2  0  0  0  0
  2 21  1  6  0  0  0
  4 25  1  1  0  0  0
 11 26  1  1  0  0  0
 10 23  1  6  0  0  0
 18 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 27  1  1  0  0  0
 20 28  1  0  0  0  0
 28 24  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
 17 35  1  6  0  0  0
 18 36  1  6  0  0  0
M  END
> <LM_ID>
LMST03020642

> <COMMON_NAME>
EB 1129

> <SYSTEMATIC_NAME>
(5Z,7E,22E,24E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,25-triol

> <FORMULA>
C30H46O3

> <MASS>
454.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LVLLALCJVJNGQQ-PCYSJUIESA-N

> <INCHI>
InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25+,26+,27-,28-,29+/m0/s1

> <SMILES>
C1/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@@]([H])(C)/C=C/C=C/C(CC)(O)CC)CC[C@@]\23[H])/C(=C)[C@@H](O)C[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10253466

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$