LMPR01070867
  LIPID_MAPS_STRUCTURE_DATABASE

 43 44  0     0  0            999 V2000
    3.2994   -7.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2994   -7.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084   -6.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7994   -5.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9905   -6.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4653   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3313   -6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1972   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0632   -6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9292   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7951   -6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5271   -6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3930   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2590   -6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1250   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9909   -6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8569   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7229   -6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8871   -8.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117   -8.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5406   -5.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2994   -5.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0480   -6.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1972   -5.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   -5.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9909   -7.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5645   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4305   -6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2964   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1623   -6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0284   -6.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4305   -7.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9091   -6.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7752   -6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7753   -5.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946   -4.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0285   -5.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1776   -4.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4091   -7.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4090   -7.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6622   -4.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8947   -3.5744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  1  5  1  0     0  0
  3  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
  2 20  1  0     0  0
  1 21  2  0     0  0
  4 22  1  0     0  0
  4 23  1  0     0  0
  5 24  2  0     0  0
  8 25  1  0     0  0
 12 26  1  0     0  0
 17 27  1  0     0  0
 19 28  1  0     0  0
 28 29  2  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 31 32  1  0     0  0
 29 33  1  0     0  0
 32 34  1  0     0  0
 34 35  1  0     0  0
 35 36  2  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 32 38  2  0     0  0
 38 39  1  0     0  0
 34 40  1  0     0  0
 34 41  1  0     0  0
 36 42  1  0     0  0
 37 43  2  0     0  0
M  END
> <LM_ID>
LMPR01070867

> <COMMON_NAME>
Roserythrin

> <SYSTEMATIC_NAME>
3'-Hydroxy-2',3'-didehydro-2-nor-beta,beta-carotene-3,4,4'-trione

> <FORMULA>
C39H46O4

> <MASS>
578.34

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JSJFLZFGUBPHPU-PONOSZKISA-N

> <INCHI>
InChI=1S/C39H46O4/c1-26(17-13-19-28(3)21-23-32-30(5)35(41)34(40)25-38(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)36(42)37(43)39(33,9)10/h11-25,40H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+

> <SMILES>
C1(=O)C(=O)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/C2=C(C)C(=O)C(O)=CC2(C)C)=C1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
57655075

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6106

> <CITATION>
-

$$$$