LMPR01070882
  LIPID_MAPS_STRUCTURE_DATABASE

 44 44  0     0  0            999 V2000
    0.4866  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0941   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9632  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8324   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7016  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5707   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4399  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3090   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1782  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0474   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9165  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7857   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6549  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5240   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3932  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2623   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1315  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0007   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8698  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557   -8.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4725   -8.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3342   -8.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7016  -11.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3090   -8.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7857   -8.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1315  -11.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7184   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5876  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4567   -9.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3259  -10.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5876  -11.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1844   -9.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362  -10.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9054   -9.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9054   -8.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0536   -8.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1844   -8.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2980   -8.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5345  -11.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5381  -11.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7746   -8.1572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9632  -11.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
  2 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  2  0  0  0  0
 10 26  1  0  0  0  0
 14 27  1  0  0  0  0
 19 28  1  0  0  0  0
 21 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 34 39  2  0  0  0  0
 39 40  1  0  0  0  0
 35 41  1  0  0  0  0
 35 42  1  0  0  0  0
 37 43  1  0  0  0  0
  5 44  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070882

> <COMMON_NAME>
Kuesteriaxanthin

> <SYSTEMATIC_NAME>
3',4,5-Trihydroxy-5,6-seco-1,2,5,6-tetrahydro-beta,psi-caroten-6-one

> <FORMULA>
C40H58O4

> <MASS>
602.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RUDJDQLXINCWKV-UMKRUOSBSA-N

> <INCHI>
InChI=1S/C40H58O4/c1-29(2)21-25-37(42)40(10,44)38(43)26-23-33(6)20-14-18-31(4)16-12-11-15-30(3)17-13-19-32(5)22-24-36-34(7)27-35(41)28-39(36,8)9/h11-20,22-24,26,29,35,37,41-42,44H,21,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-22+,26-23+,30-15+,31-16+,32-19+,33-20+

> <SMILES>
CC(C)CCC(O)C(O)(C)C(=O)/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)CC(O)CC1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120417

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1115353

> <CITATION>
15940869

$$$$