LMPR0105060003
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    6.0606    8.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9304    7.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8002    7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8002    8.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9304    9.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6699    7.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5398    7.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5398    8.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6699    9.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4095    9.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4095   10.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5398   10.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6699   10.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2793    8.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1490    9.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1490   10.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2793   10.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4095   11.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8002    9.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4282    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4326    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5398    9.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5398   11.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0188   10.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8885   10.2434    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  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  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 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 12 19  1  1  0  0  0
  5 20  1  1  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  9 23  1  1  0  0  0
 13 24  1  1  0  0  0
 17 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
> <LM_ID>
LMPR0105060003

> <COMMON_NAME>
Hyrtial

> <SYSTEMATIC_NAME>
12beta-hydroxy-25-nor-16-scalaren-24-al

> <FORMULA>
C24H38O2

> <MASS>
358.29

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C25 isoprenoids (sesterterpenes) [PR0105]

> <CLASS_LEVEL4>
Scalarane sesterterpenoids [PR010506]

> <SYNONYMS>


> <INCHI_KEY>
YJHVGMSCPWBUDS-KMZUCNCQSA-N

> <INCHI>
InChI=1S/C24H38O2/c1-21(2)10-6-11-22(3)17(21)9-12-23(4)18-8-7-16(15-25)14-24(18,5)20(26)13-19(22)23/h7,15,17-20,26H,6,8-14H2,1-5H3/t17?,18?,19?,20-,22+,23+,24-/m1/s1

> <SMILES>
C1C[C@]2(C)C3C[C@@H](O)[C@]4(C)CC(C=O)=CCC4[C@]3(C)CCC2C(C)(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608281

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
279628

> <CITATION>
3838939

$$$$