LMPR01070511
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
   13.8028  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8028  -16.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6685  -16.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5343  -16.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5343  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6685  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4177  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2834  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1491  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0148  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8805  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7460  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6117  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4774  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3430  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2087  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0743  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9400  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8057  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6713  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5369  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4027  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2682  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1339  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9996  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8653  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7308  -14.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5965  -15.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3753  -14.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9617  -14.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1491  -13.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6117  -13.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9400  -16.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4027  -16.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8653  -16.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3910  -16.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9366  -16.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4743  -14.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3405  -15.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2067  -14.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3405  -16.2536    0.0000 C   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  2  0     0  0
  6 29  1  0     0  0
  6 30  1  0     0  0
  9 31  1  0     0  0
 13 32  1  0     0  0
 18 33  1  0     0  0
 22 34  1  0     0  0
 26 35  1  0     0  0
  4 36  1  0     0  0
  2 37  1  1     0  0
 28 38  1  0     0  0
 38 39  2  0     0  0
 39 40  1  0     0  0
 39 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070511

> <COMMON_NAME>
all-trans-Celaxanthin

> <SYSTEMATIC_NAME>
3',4'-Didehydro-beta,psi-caroten-3-ol

> <FORMULA>
C40H54O

> <MASS>
550.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YYAZSYBBIFIQJT-COVUSDHRSA-N

> <INCHI>
InChI=1S/C40H54O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-28,38,41H,29-30H2,1-10H3/b12-11+,20-13+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1

> <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=C/C=C(\C)/C)=C(C)C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
181811

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
89049130

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
264483

> <CITATION>
-

$$$$