LMST01120058
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0     0  0            999 V2000
   11.2075   -7.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0705   -7.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0705   -8.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2075   -9.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3442   -8.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3442   -7.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9337   -7.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7968   -7.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7968   -8.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9337   -9.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9336   -6.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7967   -5.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6597   -6.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6597   -7.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5227   -5.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3860   -6.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3861   -7.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5227   -4.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0470   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6476   -5.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0584   -9.4966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9351   -8.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7168   -4.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0245   -3.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0210   -3.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3290   -4.2307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6069   -2.4765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7968   -6.8264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4810   -9.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6597   -8.2797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0881   -8.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4782   -7.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 15 18  1  1     0  0
  2 19  1  1     0  0
 13 20  1  1     0  0
  3 21  1  6     0  0
  7 22  1  6     0  0
 18 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 18  2  0     0  0
 25 27  2  0     0  0
 14 17  1  0     0  0
  8 28  1  1     0  0
  5 29  1  1     0  0
 14 30  1  1     0  0
 17 31  1  1     0  0
  6 32  1  6     0  0
M  END
> <LM_ID>
LMST01120058

> <COMMON_NAME>
Afrogenin

> <SYSTEMATIC_NAME>
2alpha,3beta,14beta,15beta-tetrahydroxy-5-alpha-card-20(22)-enolide

> <FORMULA>
C23H34O6

> <MASS>
406.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cardanolides and derivatives [ST0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PPMVAFKDEJNUOY-WGIKCKTPSA-N

> <INCHI>
InChI=1S/C23H34O6/c1-21-10-18(25)17(24)8-13(21)3-4-15-14(21)5-6-22(2)16(9-19(26)23(15,22)28)12-7-20(27)29-11-12/h7,13-19,24-26,28H,3-6,8-11H2,1-2H3/t13-,14-,15+,16+,17+,18+,19+,21-,22+,23+/m0/s1

> <SMILES>
C1[C@@H](O)[C@H](O)C[C@]2([H])CC[C@@]3([H])[C@@]4(O)[C@H](O)C[C@H](C5=CC(=O)OC5)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23252526

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
264979

> <CITATION>
16989527

$$$$