LMST01080063
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0     0  0            999 V2000
   10.7072    7.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7015    9.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8381    9.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8468    8.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5742    9.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5707    8.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2976    8.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3012    9.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4396    9.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7072    8.4661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5742   10.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5707    7.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9889    7.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9889    6.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8468    6.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7072    6.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1361    8.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2834    7.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2834    6.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1361    6.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9889    8.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8468    7.6438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4396   10.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0938    9.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1010   10.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9359   11.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9854   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0350   11.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0678   11.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6742   11.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   11.7968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6966    6.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7623   10.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5975   11.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
  1 10  1  1     0  0
  5 11  1  1     0  0
  6 12  1  6     0  0
  4 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16  1  1  0     0  0
 13 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 14  1  0     0  0
 13 21  1  1     0  0
  4 22  1  6     0  0
  9 23  1  1     0  0
  8 24  1  1     0  0
 25 24  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 28 27  1  0     0  0
 28 33  1  6     0  0
 28 29  1  0     0  0
 23 30  1  6     0  0
 29 31  1  0     0  0
 19 32  1  1     0  0
 25 31  1  6     0  0
 33 34  1  0     0  0
 25 23  1  0     0  0
M  END
> <LM_ID>
LMST01080063

> <COMMON_NAME>
Isonarthogenin

> <SYSTEMATIC_NAME>
(25R)-spirost-5-en-3beta,27-diol

> <FORMULA>
C27H42O4

> <MASS>
430.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NZQMLFKQRZBSPM-CAKNJAFZSA-N

> <INCHI>
InChI=1S/C27H42O4/c1-16-24-23(31-27(16)11-6-17(14-28)15-30-27)13-22-20-5-4-18-12-19(29)7-9-25(18,2)21(20)8-10-26(22,24)3/h4,16-17,19-24,28-29H,5-15H2,1-3H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1

> <SMILES>
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]3[C@@H]([C@]4(OC[C@H](CO)CC4)O[C@H]3C[C@@]21[H])C)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12311104

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4672

> <CITATION>
-

$$$$