LMST01031165
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.2736    8.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3350    7.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3350    6.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2736    6.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2124    6.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1510    6.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0899    6.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0899    7.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1510    8.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2124    7.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1510    9.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0899    9.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0285    9.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0285    8.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9060    8.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9060    9.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9674    9.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0285   10.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2124    8.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9674   10.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0846   11.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7184   11.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4692   10.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2202   11.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9711   10.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7222   11.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9711   10.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5753   10.3084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9674   11.7492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6634    6.3179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2433   12.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0899    8.7110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1306    7.4199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0285    7.4903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6956    8.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6516    8.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4394    7.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8908    9.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  1  6  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
 35 36  2  0     0  0
 35 37  1  0     0  0
 16 38  1  1     0  0
 38 35  1  0     0  0
M  END
> <LM_ID>
LMST01031165

> <COMMON_NAME>
Penicisteroid D

> <SYSTEMATIC_NAME>
16beta-acetoxy-ergosta-5,22E-dien-3beta-ol

> <FORMULA>
C30H48O3

> <MASS>
456.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
16beta-acetoxy-3beta-hydroxyergost-5,22E-diene

> <INCHI_KEY>
AYHBAGCWPTUZNA-YTRPNWAMSA-N

> <INCHI>
InChI=1S/C30H48O3/c1-18(2)19(3)8-9-20(4)28-27(33-21(5)31)17-26-24-11-10-22-16-23(32)12-14-29(22,6)25(24)13-15-30(26,28)7/h8-10,18-20,23-28,32H,11-17H2,1-7H3/b9-8+/t19-,20+,23-,24+,25-,26-,27-,28-,29-,30-/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)[C@@H](OC(C)=O)C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
146682901

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
395885

> <CITATION>
30893778

$$$$