LMST01040152
  LIPID_MAPS_STRUCTURE_DATABASE

 41 45  0  0  0  0  0  0  0  0999 V2000
    6.9833    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    7.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    7.7225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    6.8975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8412    8.5475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8412    9.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0548    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4838    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1982   10.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9113   10.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7692   10.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    8.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3403    9.2149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978    5.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5544    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5544    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    9.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6258    9.6274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6258   10.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7692   10.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4837   11.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3403   10.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0547   11.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0547   12.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3403   10.0399    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0548   10.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 13 20  1  0  0  0  0
 13 31  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
  9  5  1  0  0  0  0
  9  4  1  0  0  0  0
 11  9  1  0  0  0  0
 11  3  2  0  0  0  0
  4 22  1  0  0  0  0
  4  8  1  1  0  0  0
  4  1  1  0  0  0  0
 20  7  1  0  0  0  0
  5 31  1  0  0  0  0
  7  6  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
  9 10  1  6  0  0  0
 12 30  1  6  0  0  0
 13 14  1  1  0  0  0
 15 40  1  0  0  0  0
 15 19  1  0  0  0  0
 33 40  1  0  0  0  0
 20 33  1  0  0  0  0
 16 19  1  0  0  0  0
 17 16  1  0  0  0  0
 33 18  1  6  0  0  0
 19 35  2  0  0  0  0
 20 21  1  6  0  0  0
 35 38  1  0  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  2  0  0  0  0
 33 34  1  1  0  0  0
 40 37  1  0  0  0  0
 37 38  1  0  0  0  0
 35 36  1  0  0  0  0
 38 39  2  0  0  0  0
 40 41  1  1  0  0  0
M  END
> <LM_ID>
LMST01040152

> <COMMON_NAME>
ajugalactone

> <SYSTEMATIC_NAME>
(22R)-2beta,3beta,14,20-tetrahydroxy-22,26-epoxy-5beta-stigmasta-7,24-diene-6,12,26-trione

> <FORMULA>
C29H40O8

> <MASS>
516.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Ajugalactone

> <KEGG_ID>
C08810

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
27984

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
181744

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMST01040152

$$$$