LMST01160046
  LIPID_MAPS_STRUCTURE_DATABASE

 50 55  0     0  0            999 V2000
    9.4865    7.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4810    9.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5972    9.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3739    9.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3703    8.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1378    8.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1415    9.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2595    9.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865    8.3530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3739    9.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2484   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1278   11.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2484   11.3138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3703    7.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7279    7.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7279    6.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    5.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865    6.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9823    7.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9823    6.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550    5.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7279    8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704   11.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    7.2187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0518   10.4940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9886   11.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9886   12.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0518   12.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1278   12.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6641   10.6198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7651   12.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550    8.9944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0488   13.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1162    5.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1032    4.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1016    4.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1175    6.0219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    6.8735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1450    7.5759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1177    6.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6112    5.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079    5.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160    6.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6225    6.8791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1305    7.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6288   12.0559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8256    9.8504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3520    5.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
  6 15  1  6  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19  1  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 16 24  1  1  0  0  0
 12 25  1  6  0  0  0
  4 26  1  6  0  0  0
 13 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 13  1  0  0  0  0
 28 32  2  0  0  0  0
 29 33  1  0  0  0  0
 20 34  1  6     0  0
 30 35  1  0     0  0
 17 18  2  0  0  0  0
 22 36  1  1     0  0
 41 47  1  0     0  0
 46 40  1  0     0  0
 40 42  1  0     0  0
 42 43  1  0     0  0
 43 44  1  0     0  0
 44 45  1  0     0  0
 45 46  1  0     0  0
 46 47  1  1     0  0
 42 36  1  1     0  0
 43 37  1  6     0  0
 44 38  1  1     0  0
 45 39  1  6     0  0
 33 48  1  0     0  0
  9 49  1  6     0  0
 19 50  1  6     0  0
M  END
> <LM_ID>
LMST01160046

> <COMMON_NAME>
Physagulin D

> <SYSTEMATIC_NAME>
1alpha,3beta,27-trihydroxywitha-5,24-dienolide 3-O-beta-D-glucopyranoside

> <FORMULA>
C34H52O11

> <MASS>
636.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Daturataurin B

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14825632

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01160046

$$$$