LMPR01070870
  LIPID_MAPS_STRUCTURE_DATABASE

 43 44  0     0  0            999 V2000
    3.9103   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -7.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4101   -7.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2194   -7.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7766   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6430   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5093   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3757   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2421   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1084   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9747   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8411   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7075   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5739   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4402   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3065   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1730   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0393   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1623   -7.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4101   -8.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6578   -7.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0436   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9099   -5.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5093   -4.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9747   -4.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8813   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7477   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6140   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4804   -6.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3468   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3065   -7.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7477   -7.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1967   -6.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0623   -5.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0622   -4.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2122   -4.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3466   -4.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4652   -4.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6969   -7.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6965   -7.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9413   -6.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9480   -4.1419    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
  1  5  2  0     0  0
  1  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
  5 20  1  0     0  0
  4 21  2  0     0  0
  3 22  2  0     0  0
  2 23  1  0     0  0
  2 24  1  0     0  0
  8 25  1  0     0  0
 12 26  1  0     0  0
 19 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 17 32  1  0     0  0
 28 33  1  0     0  0
 31 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 31 38  2  0     0  0
 38 39  1  0     0  0
 34 40  1  0     0  0
 34 41  1  0     0  0
 35 42  1  0     0  0
 36 43  1  0     0  0
M  END
> <LM_ID>
LMPR01070870

> <COMMON_NAME>
3,4-Diketo-2',3'-dihydroxy-2-nor-beta-carotene

> <SYSTEMATIC_NAME>
2',3'-Dihydroxy-2-nor-beta,beta-carotene-3,4-dione

> <FORMULA>
C39H50O4

> <MASS>
582.37

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QETNDFHTWWPCMT-PONOSZKISA-N

> <INCHI>
InChI=1S/C39H50O4/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(40)36(42)38(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(41)37(43)39(33,9)10/h11-24,34,36,40,42H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+

> <SMILES>
C1(/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(O)C(O)C2(C)C)=C(C)C(=O)C(=O)C1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87442972

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
136996

> <CITATION>
-

$$$$