LMPR0106010047
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0     0  0            999 V2000
    1.2701   -9.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675  -10.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150   -9.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8625  -10.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600   -9.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6075  -10.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5049   -9.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4023  -10.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2498   -9.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0973  -10.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9947   -9.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8422  -10.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6898   -9.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5872  -10.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4346   -9.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2822  -10.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8422  -11.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150   -8.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5049   -8.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3993  -10.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4672   -9.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335  -10.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000   -9.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4672   -8.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2741  -11.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1368   -9.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0034  -10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8700   -9.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7366  -10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6033   -9.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7366  -11.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 12 17  1  0     0  0
  3 18  1  0     0  0
  7 19  1  0     0  0
  1 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 21 24  1  0     0  0
 16 25  1  0     0  0
 16 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  2  0     0  0
 29 30  1  0     0  0
 29 31  1  0     0  0
M  END
> <LM_ID>
LMPR0106010047

> <COMMON_NAME>
4-Hydroxy-4,4'-diaponeurosporene

> <SYSTEMATIC_NAME>
7',8'-Dihydro-4,4'-diapo-psi,psi-caroten-4-ol

> <FORMULA>
C30H42O

> <MASS>
418.32

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C30 isoprenoids (triterpenes) [PR0106]

> <CLASS_LEVEL4>
Acyclic triterpenoids [PR010601]

> <SYNONYMS>


> <INCHI_KEY>
CCBSGQLGLZMKTB-ZVLLIQJTSA-N

> <INCHI>
InChI=1S/C30H42O/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)24-31/h8-9,11-16,18-23,31H,10,17,24H2,1-7H3/b9-8+,18-11+,19-12+,22-13+,26-15+,27-16+,28-20+,29-21+,30-23+

> <SMILES>
C(/C=C(\C)/CO)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\CC/C=C(\C)/C)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443926

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1352

> <CITATION>
7116207

$$$$