LMPR01070776
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.9283  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9283  -12.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7948  -13.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6615  -12.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6615  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7948  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5460  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4126  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2791  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1457  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0123  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8789  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7455  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6122  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4787  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3454  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2119  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0785  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9451  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8117  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6782  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5449  -11.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2944  -10.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951  -10.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414  -13.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4066  -11.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2588  -11.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1086  -11.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9595  -11.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8262  -11.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8262  -10.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9753   -9.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1087  -10.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4591  -12.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4598  -12.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2263   -9.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5449  -12.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0785  -12.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2791  -10.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7455  -10.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7947  -14.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0548  -11.1619    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
  3 41  2  0     0  0
  1 42  1  1     0  0
M  END
> <LM_ID>
LMPR01070776

> <COMMON_NAME>
2-Hydroxyechinenone

> <SYSTEMATIC_NAME>
(2R)-2-Hydroxy-beta,beta-caroten-4-one

> <FORMULA>
C40H54O2

> <MASS>
566.41

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YNDBJOCMPASMJA-SYRJFBTCSA-N

> <INCHI>
InChI=1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)37(41)28-38(42)40(36,9)10/h11-14,16-21,23-26,38,42H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t38-/m1/s1

> <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)CCCC2(C)C)=C(C)C(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14402399

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
35525

> <CITATION>
-

$$$$