LMPR01070124
  LIPID_MAPS_STRUCTURE_DATABASE

 40 41  0     0  0            999 V2000
   26.1218    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3237    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4181    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1894    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9875    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7809    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2629    9.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9718    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2629    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3902    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9875    9.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1218    9.6883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5180    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6490    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6490    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7833    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9177    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1929    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3272    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0552    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1929    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4646    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5991    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8418    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7809    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7365    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8742    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5123    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6432    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8742    9.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430    7.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430    6.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8418    6.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1218    6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7301    7.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8418    9.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4181    9.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4814    9.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    6.0606    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
  4  8  2  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  7 12  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
  7  9  2  0  0  0  0
 18 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
  8 27  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  2  0  0  0  0
 25 29  1  0  0  0  0
  6 25  2  0  0  0  0
 27 30  1  0  0  0  0
 24 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
  6 33  1  0  0  0  0
 10 13  2  0  0  0  0
  1 34  1  0  0  0  0
  5 35  1  0  0  0  0
 24 36  1  0  0  0  0
 31 37  1  0  0  0  0
  3 38  1  0  0  0  0
  7 39  1  0  0  0  0
  6 40  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070124

> <COMMON_NAME>
Isorenieratene

> <SYSTEMATIC_NAME>
phi,phi-Carotene

> <FORMULA>
C40H48

> <MASS>
528.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Streptoxanthin; Leprotene; Leprotin

> <INCHI_KEY>
ZCIHMQAPACOQHT-YSEOPJLNSA-N

> <INCHI>
InChI=1S/C40H48/c1-29(17-13-19-31(3)21-27-39-35(7)25-23-33(5)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-28-40-36(8)26-24-34(6)38(40)10/h11-28H,1-10H3/b12-11+,17-13+,18-14+,27-21+,28-22+,29-15+,30-16+,31-19+,32-20+

> <SMILES>
C1(C)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/C1=C(C)C=CC(C)=C1C)/C

> <KEGG_ID>
C15943

> <HMDB_ID>
-

> <CHEBI_ID>
80196

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9984420

> <LIPIDBANK_ID>
VCA1042

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1703; 1911

> <CITATION>
10821176; 10395965

$$$$