LMPR01070516
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
   -0.0717  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717  -11.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7941  -11.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599  -11.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6599  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7941   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4092  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2749   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1406  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8719  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7376   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4691   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3348  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2005   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0662  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9320   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7976  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6633   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5291  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3946   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2604  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1261   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9918  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8575   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7232  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5889   -9.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4547  -10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5009   -9.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0873   -9.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2749   -8.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7376   -8.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0662  -11.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5291  -11.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9918  -11.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3317   -9.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4549  -11.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167  -11.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8574   -8.9127    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  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  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
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
  6 31  1  0     0  0
  6 32  1  0     0  0
  9 33  1  0     0  0
 13 34  1  0     0  0
 18 35  1  0     0  0
 22 36  1  0     0  0
 26 37  1  0     0  0
 30 38  1  0     0  0
 30 39  1  0     0  0
  4 40  1  0     0  0
 27 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070516

> <COMMON_NAME>
4'-Hydroxy-gamma-carotene

> <SYSTEMATIC_NAME>
beta,psi-Caroten-4'-ol

> <FORMULA>
C40H56O

> <MASS>
552.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C40 isoprenoids (tetraterpenes) [PR0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QWLUKDXGNYMCNT-IHMOVVQGSA-N

> <INCHI>
InChI=1S/C40H56O/c1-31(2)26-29-39(41)37(8)24-15-23-34(5)21-13-19-32(3)17-11-12-18-33(4)20-14-22-35(6)27-28-38-36(7)25-16-30-40(38,9)10/h11-15,17-24,26-28,39,41H,16,25,29-30H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,28-27+,32-17+,33-18+,34-21+,35-22+,37-24+

> <SMILES>
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(O)C/C=C(\C)/C)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443328

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
91979

> <CITATION>
-

$$$$