LMST01040298
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0     0  0            999 V2000
    4.4648   -6.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3486   -7.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3486   -8.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4648   -8.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5810   -8.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5810   -7.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2325   -6.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1162   -7.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1162   -8.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2325   -8.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2324   -5.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161   -4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0001   -5.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8837   -4.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7676   -5.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7677   -6.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973   -8.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0001   -8.5469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3486   -5.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9911   -4.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0001   -6.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3486   -8.7510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2070   -7.1691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0345   -7.2108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4614   -4.6087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1162   -6.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9014   -4.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7944   -3.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0272   -3.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6687   -4.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5617   -3.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4361   -4.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3291   -3.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4174   -5.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5803   -2.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4733   -2.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4547   -3.0506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6502   -5.0591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7882   -5.4852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
  5 17  1  1     0  0
  9 18  2  0     0  0
  2 19  1  1     0  0
 13 20  1  1     0  0
 21  8  1  0     0  0
 21 16  1  0     0  0
 13 21  1  0     0  0
  3 22  1  6     0  0
  7 23  1  6     0  0
 21 24  1  6     0  0
 14 25  1  1     0  0
  8 26  1  1     0  0
 14 27  1  0     0  0
 27 28  1  0     0  0
 27 29  1  6     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 32 34  1  0     0  0
 31 35  1  0     0  0
 35 36  1  0     0  0
 31 37  1  6     0  0
 35 37  1  6     0  0
 30 38  1  1     0  0
 15 39  1  1     0  0
M  END
> <LM_ID>
LMST01040298

> <COMMON_NAME>
Kotschyanoside A

> <SYSTEMATIC_NAME>
3beta,16beta,23beta-trihydroxy-24beta,28beta-epoxy-17S-stigmasta-7-one

> <FORMULA>
C29H48O5

> <MASS>
476.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
24,28-epoxy-3,6,16,23-trihydroxystigmastan-7-one

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117827

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01040298

$$$$