LMPR01070123
  LIPID_MAPS_STRUCTURE_DATABASE

 40 41  0     0  0            999 V2000
   25.0759    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3954    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4972    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2537    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9343    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826    6.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3593    9.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2239    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0295    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2239    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3593    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9343    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0759    9.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4942    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6325    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6325    6.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7742    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9158    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2059    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3476    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0609    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2059    6.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4926    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6343    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9518    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7793    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9239    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5993    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7379    8.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9239    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9518    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7868    8.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1166    8.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0759    6.6152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6702    7.5296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6865    6.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4972    9.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  2  0  0  0  0
  7  8  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 13  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
  8 10  2  0  0  0  0
 19 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
  9 28  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  2  0  0  0  0
 26 30  1  0  0  0  0
  6 26  2  0  0  0  0
 28 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
  6 34  1  0  0  0  0
 25 35  1  0  0  0  0
 25 36  1  0  0  0  0
 11 14  2  0  0  0  0
  1 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  3 40  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070123

> <COMMON_NAME>
beta-Isorenieratene

> <SYSTEMATIC_NAME>
beta,phi-Carotene

> <FORMULA>
C40H52

> <MASS>
532.41

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NMMZEYGYFYIADS-FOHJNKRASA-N

> <INCHI>
InChI=1S/C40H52/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h11-14,16-21,23-28H,15,22,29H2,1-10H3/b12-11+,18-13+,19-14+,27-23+,28-24+,30-16+,31-17+,32-20+,33-21+

> <SMILES>
C1(C)C(=C(C=CC=1C)C)/C=C/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C)/C

> <KEGG_ID>
C16340

> <HMDB_ID>
-

> <CHEBI_ID>
80461

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10098571

> <LIPIDBANK_ID>
VCA1041

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1046

> <CITATION>
-

$$$$