LMPR01070294
  LIPID_MAPS_STRUCTURE_DATABASE

 28 29  0     0  0            999 V2000
    7.1605    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0265    7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8926    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7585    7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6246    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3566    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2226    7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0887    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9548    7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8207    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0265    8.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3566    6.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8207    6.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6868    7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5527    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4188    7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2848    9.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4188    8.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2848    7.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1509    7.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1509    8.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5527    8.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0168    9.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7117    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7848    6.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7848    6.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
  1 12  2  0  0  0  0
  2 13  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 18 17  1  1  0  0  0
 20 18  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 18 24  1  0  0  0  0
 23 25  1  1  0  0  0
 20 26  1  1  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070294

> <COMMON_NAME>
Apo-12'-violaxanthal

> <SYSTEMATIC_NAME>
(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al

> <FORMULA>
C25H34O3

> <MASS>
382.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CAXVJDRXJFKYQP-LKODNMENSA-N

> <INCHI>
InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1

> <SMILES>
C(=O)/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)\C

> <KEGG_ID>
C14045

> <HMDB_ID>
-

> <CHEBI_ID>
34597

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282320

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2711

> <CITATION>
-

$$$$