LMPR01070640
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.4793  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4793  -12.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458  -12.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125  -12.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458  -10.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0969  -10.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9636  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8302  -10.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6968  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5634  -10.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4300  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2965  -10.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0298  -10.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8965  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7629  -10.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6296  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4962  -10.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3628  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2294  -10.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0961  -11.3682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455  -10.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8462  -10.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0923  -12.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9579  -10.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8100  -11.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6598  -10.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5108  -11.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3773  -10.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3774   -9.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5266   -9.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6599   -9.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0104  -12.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0110  -12.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7777   -9.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0961  -12.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6296  -12.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8302   -9.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2965   -9.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6044  -10.8632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2350  -11.3584    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  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  1  0     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
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
  6 23  1  0     0  0
  6 24  1  0     0  0
  4 25  1  0     0  0
 22 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 28 33  2  0     0  0
 29 34  1  0     0  0
 29 35  1  0     0  0
 33 36  1  0     0  0
 22 37  1  0     0  0
 18 38  1  0     0  0
  9 39  1  0     0  0
 13 40  1  0     0  0
  1 41  1  1     0  0
 30 42  1  6     0  0
M  END
> <LM_ID>
LMPR01070640

> <COMMON_NAME>
(2R,2'S)-2,2'-Dihydroxy-beta-carotene

> <SYSTEMATIC_NAME>
(2R,2'S)-beta,beta-Carotene-2,2'-diol

> <FORMULA>
C40H56O2

> <MASS>
568.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YNQCUMWYQVISHF-LFKFPCKFSA-N

> <INCHI>
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-25-35-33(5)23-27-37(41)39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-26-36-34(6)24-28-38(42)40(36,9)10/h11-22,25-26,37-38,41-42H,23-24,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t37-,38+

> <SMILES>
[C@H]1(O)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/C2=C(C)CC[C@H](O)C2(C)C)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14333375

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7024

> <CITATION>
-

$$$$