LMST01160053
  LIPID_MAPS_STRUCTURE_DATABASE

 40 45  0     0  0            999 V2000
    3.8034   -3.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9204   -3.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9204    0.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0628    2.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3621    3.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0057    3.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5374   -1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -2.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6704   -0.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -1.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4482   -0.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4562    0.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6704   -2.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5374   -2.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4452    0.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6544    0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5533    0.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -0.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0473   -0.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089   -2.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089   -0.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4639    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7635    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   -2.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   -1.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7445    1.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1008    2.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4072    1.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3882    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0438    3.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7065    2.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0509    0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875    2.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540   -1.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5284   -1.4653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    0.8599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1017    2.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5495   -0.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3036    0.7413    0.0000 O   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
 12 15  1  0  0  0  0
 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
 15 37  1  6  0  0  0
 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
 24 28  1  6  0  0  0
 25 26  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
 32 34  1  0  0  0  0
 27 38  1  1     0  0
  7 39  1  1     0  0
 21 40  1  0     0  0
 13  1  1  1  0  0  0
M  END
> <LM_ID>
LMST01160053

> <COMMON_NAME>
Withalongolide A

> <SYSTEMATIC_NAME>
5beta,6beta:22R,26-diepoxyergosta-4beta,19,27-trihydroxy-2,24-diene-1,26-dione

> <FORMULA>
C28H38O7

> <MASS>
486.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
19-hydroxy-Withaferin A

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
69106

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56649343

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01160053

$$$$