LMST01010471
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.4513    9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5913    7.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4513    7.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    7.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1368    7.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9968    7.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9968    8.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1368    9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1368   10.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9968   10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8225   10.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8225    9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5081    9.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5081   10.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6825   10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8225   11.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    9.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6825   11.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8225   12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5425   12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3681   11.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2281   12.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0537   11.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0537   10.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9138   12.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5081   11.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1368    6.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7312    9.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7312    7.3225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6825   12.7579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5425   13.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8225    8.2833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2862    7.0134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  2  0  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 28  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 29  6  2  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  6  0  0  0
 32 20  1  0  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
 22 33  1  6  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
  3  2  1  0  0  0  0
  2 30  1  1  0  0  0
  3 31  1  1  0  0  0
 14 34  1  6     0  0
  5 35  1  1     0  0
M  END
> <LM_ID>
LMST01010471

> <COMMON_NAME>
14-deoxydacryhainansterone

> <SYSTEMATIC_NAME>
2beta,3beta,20R,22R-tetrahydroxy-cholesta-7,9(11)-dien-6-one

> <FORMULA>
C27H42O5

> <MASS>
446.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JXCJJXRHDADRNR-DPLZVJLISA-N

> <INCHI>
InChI=1S/C27H42O5/c1-15(2)6-9-24(31)27(5,32)23-8-7-17-16-12-20(28)19-13-21(29)22(30)14-26(19,4)18(16)10-11-25(17,23)3/h10,12,15,17,19,21-24,29-32H,6-9,11,13-14H2,1-5H3/t17-,19-,21+,22-,23-,24+,25-,26+,27+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3C(=CC[C@]4([C@@]3([H])CC[C@]4([H])[C@](O)(C)[C@H](O)CCC(C)C)C)[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
170325586

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1503182

> <CITATION>
34143640

$$$$