LMST01040290
  LIPID_MAPS_STRUCTURE_DATABASE

 41 45  0     0  0            999 V2000
    8.4450    9.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4450    7.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0139    7.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    8.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576   10.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0139   10.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8105    8.7213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3918    9.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    9.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576    9.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576    8.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0139    8.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8702    9.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8702   10.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8702   11.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5232   11.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2358   11.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019   10.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9542   11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8105   10.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6668   10.8154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6554   13.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    7.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3014    6.5550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    8.5324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    7.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576    7.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8702    8.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8105   11.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8105   12.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6668   11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6668   12.7929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3793   12.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5661   12.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1250   12.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1138   12.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3793   11.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3793   10.8154    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 23  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
 29  3  1  0  0  0  0
 23  2  1  0  0  0  0
 23 29  1  0  0  0  0
 25  1  1  0  0  0  0
 27  2  1  0  0  0  0
 27 25  1  0  0  0  0
 10 11  1  6  0  0  0
 13 31  1  6  0  0  0
 14 15  1  1  0  0  0
 16 34  1  0  0  0  0
 16 40  1  0  0  0  0
 32 34  1  0  0  0  0
 20 32  1  0  0  0  0
 17 40  1  0  0  0  0
 38 17  1  0  0  0  0
 17 18  1  6  0  0  0
 32 19  1  6  0  0  0
 40 36  1  0  0  0  0
 20 21  1  6  0  0  0
 36 22  1  1  0  0  0
 23 24  1  1  0  0  0
 25 26  1  1  0  0  0
 27 28  1  1  0  0  0
 29 30  2  0  0  0  0
 32 33  1  1  0  0  0
 34 35  1  6  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 40 41  1  1  0  0  0
M  END
> <LM_ID>
LMST01040290

> <COMMON_NAME>
Isocyasterone

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

> <FORMULA>
C29H44O8

> <MASS>
520.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12305324

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01040290

$$$$