LMST01150009
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0  0  0  0  0  0  0  0999 V2000
    6.8105    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    5.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8105    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    5.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2751    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0075    5.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0075    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2751    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2751    7.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0075    8.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7398    7.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7398    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2045    6.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2045    7.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4722    8.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7398    8.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    7.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0075    7.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2591    6.2275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7398    6.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9369    8.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9369    9.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4722    9.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9833    9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6692    7.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4016    8.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4016    9.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6692    9.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8826    7.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9369    9.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6630   10.0518    0.0000 O   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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
  3 20  1  1  0  0  0
  8 21  1  1  0  0  0
  9 22  1  6  0  0  0
 14 23  1  6  0  0  0
 16 24  1  1  0  0  0
 24 25  1  0  0  0  0
 17 26  1  1  0  0  0
 26 25  1  0  0  0  0
 26 27  1  6  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 25  1  0  0  0  0
 29 32  1  6  0  0  0
 25 33  1  6  0  0  0
 31 34  1  1  0  0  0
M  END
> <LM_ID>
LMST01150009

> <COMMON_NAME>
Leptinidine

> <SYSTEMATIC_NAME>
solanid-5-en-3beta,23S-diol

> <FORMULA>
C27H43NO2

> <MASS>
413.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Solanidines and alkaloid derivatives [ST0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RFIYLZGMGGONQR-QFJXAUAASA-N

> <INCHI>
InChI=1S/C27H43NO2/c1-15-11-23(30)25-16(2)24-22(28(25)14-15)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,29-30H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@H](C)[C@@]6([H])[C@@H](O)C[C@H](C)CN6[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
185580

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$