LMPR01070513
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
    1.7324   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324   -8.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -9.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4682   -8.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4682   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3539   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9576   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8254   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6931   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5609   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4289   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1645   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0323   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9002   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7680   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6358   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5036   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3716   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2392   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1071   -7.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9750   -7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3089   -6.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8918   -6.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897   -6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5609   -6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9002   -8.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3716   -8.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3272   -9.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8640   -9.2589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8305   -7.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6857   -7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8306   -8.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6846   -9.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5357   -8.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3891   -9.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2388   -8.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3905  -10.2540    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
  6 26  1  0     0  0
  6 27  1  0     0  0
  9 28  1  0     0  0
 13 29  1  0     0  0
 18 30  1  0     0  0
 22 31  1  0     0  0
  4 32  1  0     0  0
  2 33  1  1     0  0
 25 34  2  0     0  0
 34 35  1  0     0  0
 34 36  1  0     0  0
 36 37  2  0     0  0
 37 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>
LMPR01070513

> <COMMON_NAME>
(3'Z,5'Z)-Celaxanthin

> <SYSTEMATIC_NAME>
(3'Z,5'Z)-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-VQIXHKMUSA-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>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162873652

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
85181

> <CITATION>
19467553

$$$$