LMPR01070058
  LIPID_MAPS_STRUCTURE_DATABASE

 52 53  0  0  0  0  0  0  0  0999 V2000
    8.8539   10.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5559   10.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2579   10.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9600   10.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6620   10.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3637   10.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0657   10.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7677   10.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4697   10.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1717   10.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8736   10.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5755   10.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2775   10.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9795   10.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6815   10.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2118   11.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539   11.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6620   11.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1717    9.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9795    9.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6812    8.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6812    8.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9795    7.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7863    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0846    5.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0846    6.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3829    6.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3829    7.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9115   11.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6179   11.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6179   12.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9115   12.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2118   12.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2118   10.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6179   10.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5075   12.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3221   12.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3856   10.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    9.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032   10.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3078   10.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3078    8.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5924    9.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8972    8.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8972    8.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5924    7.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3078    8.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3078    9.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8972    9.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0032    7.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3891    8.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  1 17  1  0  0  0  0
  5 18  1  0  0  0  0
 10 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 16 33  2  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 33 36  1  0  0  0  0
 31 37  1  1  0  0  0
 15 38  3  0  0  0  0
 16 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 42 39  1  1  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 42 47  1  0  0  0  0
 43 48  1  0  0  0  0
 43 49  1  0  0  0  0
 47 50  1  6  0  0  0
  1 40  1  0  0  0  0
 45 51  2  0  0  0  0
 42 52  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070058

> <COMMON_NAME>
19'-Hexanoyloxyisomytiloxanthin

> <SYSTEMATIC_NAME>


> <FORMULA>
C46H64O6

> <MASS>
712.47

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LIBOJHYHDLWKKI-XFTVYCRLSA-N

> <INCHI>
InChI=1S/C46H64O6/c1-11-12-13-24-43(50)52-32-38(25-26-41-36(5)27-39(47)29-44(41,7)8)23-17-21-34(3)19-15-14-18-33(2)20-16-22-35(4)42(49)31-46(51)37(6)28-40(48)30-45(46,9)10/h14-23,37,39,47,51H,11-13,24,27-32H2,1-10H3/b15-14+,20-16+,21-17+,33-18+,34-19+,35-22+,38-23-/t37-,39-,46-/m1/s1

> <SMILES>
C(/C(=O)C[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/COC(CCCCC)=O)\C#CC1=C(C)C[C@@H](O)CC1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061209

> <LIPIDBANK_ID>
VCA0056

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6550

> <CITATION>
3227741

$$$$