LMST01130063
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0     0  0            999 V2000
   11.0370    8.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1118    8.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1118    9.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0370   10.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9619    9.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9619    8.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8123    8.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8123    9.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8872   10.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9619   10.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8872   11.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4863   10.6516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0370    9.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9619    7.8744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6846   11.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6846   12.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8872   13.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0900   12.5411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0900   11.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8872   13.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8149    7.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7524    7.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3179    7.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2032    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3932    6.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4258    7.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2765    8.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2602    6.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8604    5.2612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1118    7.7033    0.0000 H   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  1  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
  1  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  9 12  1  6  0  0  0
  1 13  1  1  0  0  0
  6 14  1  1  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  2  0  0  0  0
 17 20  2  0  0  0  0
  1 21  1  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23  2  1  0     0  0
 28 22  1  0     0  0
 24 28  1  0     0  0
 27 23  1  0     0  0
 26 27  1  0     0  0
 25 26  1  0     0  0
 24 25  2  0     0  0
 28 29  2  0     0  0
  2 30  1  6     0  0
M  END
> <LM_ID>
LMST01130063

> <COMMON_NAME>
Bufogargarizin D

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H26O4

> <MASS>
366.18

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Bufanolides and derivatives [ST0113]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RDOABMLJNQGVOD-PPDJZNBDSA-N

> <INCHI>
InChI=1S/C23H26O4/c1-22-10-8-16-15-4-2-3-5-20(24)17(15)12-19(16)23(22,26)11-9-18(22)14-6-7-21(25)27-13-14/h3,5-7,13,16,18-19,26H,2,4,8-12H2,1H3/t16-,18-,19-,22-,23+/m1/s1

> <SMILES>
[C@]12(CC3C(=O)C=CCCC=3[C@@]1([H])CC[C@]1(C)[C@@]([H])(C3=COC(=O)C=C3)CC[C@@]12O)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 23:7;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
164609122

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
30331

> <CITATION>
33882233

$$$$