LMST01160054
  LIPID_MAPS_STRUCTURE_DATABASE

 39 44  0     0  0            999 V2000
    3.8107   -3.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9260   -3.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9260    0.4112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0802    2.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3820    3.9867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480   -1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8109   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6794   -0.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8109   -1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4606   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4686    0.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6794   -2.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4595    0.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6633    0.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5640    0.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4466   -0.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0627   -0.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9145   -2.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8109   -0.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9145   -0.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7784    1.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0057   -2.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0057   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7613    1.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1144    2.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4252    1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    3.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7270    2.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0721    0.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7099    2.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629   -1.3717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5409   -1.4681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3026    0.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1172    2.6534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5601   -0.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3119    0.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
 19  2  1  1  0  0  0
  3 21  2  0  0  0  0
  4 26  1  0  0  0  0
  4 30  1  0  0  0  0
  5 30  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 34  1  6  0  0  0
  9 20  1  1  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 10 35  1  6  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 22  1  1  0  0  0
 12 13  1  0  0  0  0
 14 18  1  0  0  0  0
 14 23  1  0  0  0  0
 14 36  1  6  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  6  0  0  0
 24 25  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  1  0  0  0  0
 30 31  1  0  0  0  0
 31 33  1  0  0  0  0
 26 37  1  1     0  0
  6 38  1  1     0  0
 20 39  1  0     0  0
 12  1  1  1  0  0  0
M  END
> <LM_ID>
LMST01160054

> <COMMON_NAME>
Withalongolide B

> <SYSTEMATIC_NAME>
5beta,6beta:22R,26-diepoxyergosta-27-acetoxy-4beta,19-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>
19-hydroxy-Withaferin A

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
69107

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56649344

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01160054

$$$$