LMST01010456
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   10.1321    9.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9748    8.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2770    8.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1404   10.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8255    9.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9748    7.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2728    7.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4301    9.1642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9915   10.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8339   10.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5151    9.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8131    8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1237    7.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4301    7.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5751    8.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6892   10.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8298   11.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5276   10.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5751    7.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9295    6.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9100    6.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7197    9.1642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6808   11.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3786   10.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5234   12.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9665    9.6649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5484   11.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2789   10.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2809    9.6786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1234    8.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7085    7.1969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8123   12.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  6  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 11 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 18 24  1  6  0  0  0
 23 25  1  0  0  0  0
  7 13  2  0  0  0  0
  9 10  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
  2 26  1  1  0  0  0
 16 27  1  6  0  0  0
  4 28  2  0     0  0
  3 29  1  6     0  0
  1 30  1  1     0  0
 19 31  1  6     0  0
 23 32  2  0     0  0
M  END
> <LM_ID>
LMST01010456

> <COMMON_NAME>
Hexanorisocucurbitacin D

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H34O5

> <MASS>
402.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RKYRHTLYIGVTOJ-NITOUSFVSA-N

> <INCHI>
InChI=1S/C24H34O5/c1-12(25)19-16(27)10-22(4)17-8-7-13-14(9-15(26)20(29)21(13,2)3)24(17,6)18(28)11-23(19,22)5/h7,14,16-17,19-20,27,29H,8-11H2,1-6H3/t14-,16-,17+,19+,20-,22+,23-,24+/m1/s1

> <SMILES>
[C@@]12(C)C(=O)C[C@]3(C)[C@]([H])([C@H](O)C[C@@]3(C)[C@]1([H])CC=C1C(C)(C)[C@H](O)C(=O)C[C@@]21[H])C(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:4;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162645105

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
685054

> <CITATION>
33269591

$$$$