LMPR01070029
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0  0  0  0  0  0  0  0999 V2000
    7.6014    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6014    6.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    6.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    8.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6014    8.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1993    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0630    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9284    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7955    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5263    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3933    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2587    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1243    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9913    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8568    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7222    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5893    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4546    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3201    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1871    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0525    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9179    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7850    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9284    9.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3933    9.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7222    6.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1871    6.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6472    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5191    8.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5191    9.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6472    9.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7850    9.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7850    7.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5191    7.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9179    9.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3878    9.8692    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  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 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
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 27  1  6  0  0  0
 12 29  1  0  0  0  0
 16 30  1  0  0  0  0
 21 31  1  0  0  0  0
 25 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 28 37  1  0  0  0  0
 33 38  1  0  0  0  0
 33 39  1  0  0  0  0
 37 40  1  0  0  0  0
  2 41  1  1  0  0  0
 35 42  1  6  0  0  0
M  END
> <LM_ID>
LMPR01070029

> <COMMON_NAME>
Lutein F

> <SYSTEMATIC_NAME>
(3R,3'R,6S)-beta,epsilon-Carotene-3,3'-diol

> <FORMULA>
C40H56O2

> <MASS>
568.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6'-Epilutein

> <INCHI_KEY>
KBPHJBAIARWVSC-WTAPCXIZSA-N

> <INCHI>
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37+/m0/s1

> <SMILES>
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(C)=C[C@H](O)CC2(C)C)=C(C)C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB03415

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061195

> <LIPIDBANK_ID>
VCA0027

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
270562; 255296

> <CITATION>
3769462; 30305558

$$$$