LMST01160020
  LIPID_MAPS_STRUCTURE_DATABASE

 39 44  0     0  0            999 V2000
    3.8034   -3.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9204   -4.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7125    0.6150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9204   -0.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4191    2.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0746    4.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5374   -1.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -2.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6704   -1.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -1.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4482   -1.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4562   -0.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6704   -3.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5374   -2.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4452   -0.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6544   -0.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5533    0.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4323   -1.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0473   -0.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089   -3.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036   -0.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4639    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7635    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   -2.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   -1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0818    1.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8145    1.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0628    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3810    3.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7374    3.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    3.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3621    3.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0366    4.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790   -2.0942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5284   -2.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959   -4.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    0.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5374   -0.8758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 13  1  0  0  0  0
 20  2  1  1  0  0  0
 24  3  1  1  0  0  0
  4 22  2  0  0  0  0
  5 31  1  0  0  0  0
  6 31  2  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
 13 37  1  6  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 15 38  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  0  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
  7 39  1  1     0  0
 27  5  1  6  0  0  0
M  END
> <LM_ID>
LMST01160020

> <COMMON_NAME>
Withanolide D

> <SYSTEMATIC_NAME>
(3aS,5aR,9bR)-5a,9-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g]benzofuran-2-one

> <FORMULA>
C28H38O6

> <MASS>
470.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
withanolide; AC1L4PUZ; CHEBI:10041

> <KEGG_ID>
C08842

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
10041

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
161671

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01160020

$$$$