LMST01160017
  LIPID_MAPS_STRUCTURE_DATABASE

 39 44  0     0  0            999 V2000
    3.7952   -3.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9141   -3.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9141    0.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0432    2.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3397    3.9705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9798    3.4205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5254   -1.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954   -2.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603   -0.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954   -1.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4343   -0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4423    0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603   -2.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5254   -2.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4291    0.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6444    0.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0299   -0.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026   -2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7954   -0.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026   -0.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4499    1.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7467    1.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976   -2.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976   -1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7256    1.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0855    2.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3869    1.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3658    1.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0221    3.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6834    2.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0270    0.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6623    2.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941   -1.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5143   -1.4621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2688    0.8580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5254   -0.1254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0200    2.5838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
 20  2  1  1  0  0  0
  3 22  2  0  0  0  0
  4 27  1  0  0  0  0
  4 31  1  0  0  0  0
  5 31  2  0  0  0  0
  6 34  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 35  1  6  0  0  0
 10 21  1  1  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 36  1  6  0  0  0
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 12 17  1  0  0  0  0
 12 23  1  1  0  0  0
 13 14  1  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
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 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
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 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
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 32 34  1  0  0  0  0
  7 38  1  1     0  0
 13  1  1  1  0  0  0
 27 39  1  1     0  0
M  END
> <LM_ID>
LMST01160017

> <COMMON_NAME>
Withaferin A

> <SYSTEMATIC_NAME>
5beta,6beta:22R,26-diepoxyergosta-4beta,27-dihydroxy-2,24-diene-1,26-dione

> <FORMULA>
C28H38O6

> <MASS>
470.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Withaferine A; NSC101088; NSC 273757; WITHAFERIN DERIV JPR, IOWA U. COMPOUND; NSC-101088

> <KEGG_ID>
C08841

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
69120

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
265237

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01160017

$$$$