LMST01031350
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
    8.4454    9.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4454    7.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0144    7.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3018    8.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1581   10.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0144   10.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8111    8.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3924    9.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3018    9.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1581    9.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1581    8.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0144    8.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8707    9.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8707   10.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8707   11.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5239   11.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2365   11.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3027   10.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9548   11.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8111   10.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674   10.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3018    7.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3018    6.5553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5892    8.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    9.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5892    7.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    7.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1581    7.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1581    6.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8707    8.0384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8111   11.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8111   12.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674   11.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674   12.7935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800   12.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5669   12.9501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1258   12.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1146   12.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800   11.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800   10.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0  0  0  0
 14 20  1  0  0  0  0
 14  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 10  5  1  0  0  0  0
 10  4  1  0  0  0  0
 12 10  1  0  0  0  0
 12  3  2  0  0  0  0
  4 22  1  0  0  0  0
  4  9  1  1  0  0  0
  4  1  1  0  0  0  0
 20  8  1  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
 28  3  1  0  0  0  0
 22  2  1  0  0  0  0
 22 28  1  0  0  0  0
 24  1  1  0  0  0  0
 26  2  1  0  0  0  0
 26 24  1  0  0  0  0
 10 11  1  6  0  0  0
 13 30  1  6  0  0  0
 14 15  1  1  0  0  0
 16 33  1  0  0  0  0
 16 39  1  0  0  0  0
 31 33  1  0  0  0  0
 20 31  1  0  0  0  0
 17 39  1  0  0  0  0
 37 17  1  0  0  0  0
 17 18  1  1  0  0  0
 31 19  1  6  0  0  0
 39 35  1  0  0  0  0
 20 21  1  6  0  0  0
 22 23  1  1  0  0  0
 24 25  1  1  0  0  0
 26 27  1  1  0  0  0
 28 29  2  0  0  0  0
 31 32  1  1  0  0  0
 33 34  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 39 40  1  1  0  0  0
M  END
> <LM_ID>
LMST01031350

> <COMMON_NAME>
29-norcyasterone

> <SYSTEMATIC_NAME>
(22R,24S,25S,28R)-2beta,3beta,14,20,22-pentahydroxy-26,28-epoxy-5beta-ergost-7-ene-6,26-dione

> <FORMULA>
C28H42O8

> <MASS>
506.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KIUYPOUMVLICAJ-KNKPZWPBSA-N

> <INCHI>
InChI=1S/C28H42O8/c1-14-15(13-36-24(14)33)9-23(32)27(4,34)22-6-8-28(35)17-10-19(29)18-11-20(30)21(31)12-25(18,2)16(17)5-7-26(22,28)3/h10,14-16,18,20-23,30-32,34-35H,5-9,11-13H2,1-4H3/t14-,15+,16-,18-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@](O)(C)[C@H](O)C[C@]2([H])COC(=O)[C@H]2C)CC[C@]13O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:4;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14693886

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
38596

> <CITATION>
-

$$$$