LMPR01071077
  LIPID_MAPS_STRUCTURE_DATABASE

 33 34  0     0  0            999 V2000
    2.1146  -10.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1146  -11.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9783  -12.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424  -11.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424  -10.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9783  -10.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243  -10.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5884  -10.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4522  -10.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3163  -10.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1804  -10.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0444  -10.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9085  -10.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7724  -10.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6363  -10.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5003  -10.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3643  -10.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2284  -10.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0923  -10.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4795   -9.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4772   -9.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2284  -11.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4522   -9.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9085   -9.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7058  -12.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509  -12.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9784  -10.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8547  -10.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7185  -10.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5769  -10.3246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7185  -11.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4668  -10.8383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7078  -11.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  1  1     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
  6 20  1  0     0  0
  6 21  1  0     0  0
 18 22  1  0     0  0
  9 23  1  0     0  0
 13 24  1  0     0  0
  4 25  1  1     0  0
  2 26  1  1     0  0
 19 27  2  0     0  0
 27 28  1  0     0  0
 28 29  2  0     0  0
 29 30  1  0     0  0
 29 31  1  0     0  0
 30 32  2  0     0  0
  5 33  1  6     0  0
  4 33  1  6     0  0
M  END
> <LM_ID>
LMPR01071077

> <COMMON_NAME>
Apo-8'-violaxanthin

> <SYSTEMATIC_NAME>
(3S,5R,6S)-5,6-Epoxy-3-hydroxy-8'-apo-beta-caroten-8'-al

> <FORMULA>
C30H40O3

> <MASS>
448.30

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Beta-Citraurin-epoxide

> <INCHI_KEY>
TUSQPOXZYYVVMH-WMRQXDNJSA-N

> <INCHI>
InChI=1S/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-30-28(5,6)20-27(32)21-29(30,7)33-30/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t27-,29+,30-/m0/s1

> <SMILES>
C1C(C)(C)[C@@]2(O[C@]2(C)C[C@H]1O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14235481

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2711

> <CITATION>
-

$$$$