LMST01120004
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.9820    7.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2682    6.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9820    5.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4096    5.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1233    6.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1546    8.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4408    8.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6523    7.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1368    7.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6523    9.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3191    9.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9855    9.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6523    8.3870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3661    8.7992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8684    8.1324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8684    8.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6958    6.8960    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2682    6.0717    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8684    7.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8684    6.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1546    6.8960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1546    7.7203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6958    6.0717    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6958    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4408    7.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4408    6.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0644   10.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6472   11.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2402   10.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6958    7.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9820    8.1324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18  3  1  0  0  0  0
  3 23  1  0  0  0  0
 25 17  1  0  0  0  0
 17 23  1  0  0  0  0
 23  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 21  1  0  0  0  0
 21 19  1  0  0  0  0
 25 21  1  0  0  0  0
  7 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
 19  8  1  0  0  0  0
 15 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13  9  1  0  0  0  0
  8  9  1  0  0  0  0
 13 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 27  1  0  0  0  0
 27 29  1  0  0  0  0
 29 12  1  0  0  0  0
 13 14  1  6  0  0  0
 15 16  1  1  0  0  0
 17 31  1  1  0  0  0
 18 30  1  1  0  0  0
 19 20  1  1  0  0  0
 21 22  1  1  0  0  0
 23 24  1  1  0  0  0
 25 26  1  6  0  0  0
 27 28  2  0  0  0  0
 31 32  2  0  0  0  0
M  END
> <LM_ID>
LMST01120004

> <COMMON_NAME>
cannogenin

> <SYSTEMATIC_NAME>
3beta,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide

> <FORMULA>
C23H32O5

> <MASS>
388.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cardanolides and derivatives [ST0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JNTNUSUPTSNMNJ-NNNAONFXSA-N

> <INCHI>
InChI=1S/C23H32O5/c1-21-7-5-18-19(3-2-15-11-16(25)4-8-22(15,18)13-24)23(21,27)9-6-17(21)14-10-20(26)28-12-14/h10,13,15-19,25,27H,2-9,11-12H2,1H3/t15-,16+,17-,18+,19-,21-,22-,23+/m1/s1

> <SMILES>
C1[C@@]2(C=O)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@]2(C)[C@@]([H])(C4COC(=O)C=4)CC[C@]32O)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
38148

> <ABBREVIATION>
ST 23:4;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12302396

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$