LMPR01070991
  LIPID_MAPS_STRUCTURE_DATABASE

 40 41  0     0  0            999 V2000
    2.1300  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1300  -12.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9967  -12.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8634  -12.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8634  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9967  -10.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7479  -10.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6146  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4812  -10.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2146  -10.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0812  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9478  -10.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8145  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6811  -10.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5479  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4144  -10.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2811  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1477  -10.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0144  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8810  -10.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7477  -11.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963   -9.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4970   -9.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7433  -12.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6096  -10.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4617  -11.1535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3116  -10.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1625  -11.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0292  -10.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0293   -9.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1783   -9.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3117   -9.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7477  -12.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2811  -12.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4812   -9.6580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9478   -9.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8924  -11.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1625  -12.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9163   -9.1411    0.0000 C   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  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
 28 27  1  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
 28 33  2  0     0  0
 22 34  1  0     0  0
 18 35  1  0     0  0
  9 36  1  0     0  0
 13 37  1  0     0  0
 30 38  1  0     0  0
 29 39  1  0     0  0
 31 40  1  0     0  0
M  END
> <LM_ID>
LMPR01070991

> <COMMON_NAME>
Tethyatene

> <SYSTEMATIC_NAME>
3,4-Didehydro-beta,chi-carotene

> <FORMULA>
C40H50

> <MASS>
530.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MMDGAHBFSCOGTN-GEWAIPMNSA-N

> <INCHI>
InChI=1S/C40H50/c1-30(18-13-20-32(3)23-26-38-27-25-34(5)36(7)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-35(6)22-15-29-40(39,9)10/h11-28H,29H2,1-10H3/b12-11+,18-13+,19-14+,26-23+,28-24+,30-16+,31-17+,32-20+,33-21+

> <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/C2=CC=C(C)C(C)=C2C)=C(C)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23425015

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
82569; 2684942

> <CITATION>
-

$$$$