LMPR01070508
  LIPID_MAPS_STRUCTURE_DATABASE

 40 40  0     0  0            999 V2000
    1.3332   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332   -6.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012   -6.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691   -6.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9549   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6907   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1623   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8980   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7660   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6339   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5018   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3697   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2375   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1054   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9734   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8411   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7090   -5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5770   -4.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9098   -3.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926   -3.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6907   -3.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1623   -3.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5018   -6.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9734   -6.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9281   -6.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4326   -5.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2878   -4.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4327   -6.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2868   -6.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1379   -6.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9914   -6.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8412   -6.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9927   -7.6800    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
 25 33  2  0     0  0
 33 34  1  0     0  0
 33 35  1  0     0  0
 35 36  2  0     0  0
 36 37  1  0     0  0
 37 38  2  0     0  0
 38 39  1  0     0  0
 38 40  1  0     0  0
M  END
> <LM_ID>
LMPR01070508

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

> <SYSTEMATIC_NAME>
(3'Z,5'Z)-3',4'-Didehydro-beta,psi-carotene

> <FORMULA>
C40H54

> <MASS>
534.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AIBOHNYYKWYQMM-NALUWMLISA-N

> <INCHI>
InChI=1S/C40H54/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-16,18-27,29-30H,17,28,31H2,1-10H3/b12-11+,21-13-,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24-,36-25+,37-27+

> <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)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101480824

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
85181

> <CITATION>
19467553

$$$$