LMPR01070595
  LIPID_MAPS_STRUCTURE_DATABASE

 38 38  0     0  0            999 V2000
    1.6876  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6876  -12.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366  -13.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357  -12.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4357  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1837  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8817  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7807  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6297  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4277  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2768  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0248  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8737  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7227  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6217  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4708  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3198  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0372  -10.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0361  -10.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846  -13.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2188  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0679  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3198  -12.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8737  -12.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327  -10.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287  -10.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9169  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8158  -11.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6649  -11.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8158  -12.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5399  -11.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6567  -10.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3881  -11.3050    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
  6 23  1  0     0  0
  6 24  1  0     0  0
  4 25  1  0     0  0
 22 26  1  0     0  0
 26 27  2  0     0  0
 22 28  1  0     0  0
 18 29  1  0     0  0
  9 30  1  0     0  0
 13 31  1  0     0  0
 27 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 33 35  1  0     0  0
 34 36  1  0     0  0
 34 37  2  0     0  0
 36 38  1  0     0  0
M  END
> <LM_ID>
LMPR01070595

> <COMMON_NAME>
Neurosporaxanthin methyl ester

> <SYSTEMATIC_NAME>
Methyl 4'-apo-beta,psi-caroten-4'-oate

> <FORMULA>
C36H48O2

> <MASS>
512.37

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CXZXVEIFQBEHTM-HHOXJLNZSA-N

> <INCHI>
InChI=1S/C36H48O2/c1-28(18-12-20-30(3)22-14-23-33(6)35(37)38-9)16-10-11-17-29(2)19-13-21-31(4)25-26-34-32(5)24-15-27-36(34,7)8/h10-14,16-23,25-26H,15,24,27H2,1-9H3/b11-10+,18-12+,19-13+,22-14+,26-25+,28-16+,29-17+,30-20+,31-21+,33-23+

> <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)OC)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5380055

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1036719

> <CITATION>
-

$$$$