LMPR01070523
  LIPID_MAPS_STRUCTURE_DATABASE

 42 42  0     0  0            999 V2000
    1.3119   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3119   -9.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759  -10.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0399   -9.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0399   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7858   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6496   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5136   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3776   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2413   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1054   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9694   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8334   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6973   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5612   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4252   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2893   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1531   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0170   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8810   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7449   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6089   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4728   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3368   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2007   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0647   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9287   -8.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7927   -8.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6496   -7.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1054   -7.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4252   -9.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8810   -9.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3368   -9.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6679   -8.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7928   -9.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8951  -10.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4347  -10.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691   -7.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6827   -7.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762  -11.4327    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
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
  9 31  1  0     0  0
 13 32  1  0     0  0
 18 33  1  0     0  0
 22 34  1  0     0  0
 26 35  1  0     0  0
 30 36  1  0     0  0
 30 37  1  0     0  0
  4 38  1  0     0  0
  2 39  1  6     0  0
  6 40  1  0     0  0
  6 41  1  0     0  0
  3 42  1  1     0  0
M  END
> <LM_ID>
LMPR01070523

> <COMMON_NAME>
(3R,4R)-4-Hydroxyrubixanthin

> <SYSTEMATIC_NAME>
(3R,4R)-beta,psi-Carotene-3,4-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>
DQUASIRQTBWOEF-FCUJZEAXSA-N

> <INCHI>
InChI=1S/C40H56O2/c1-30(2)17-13-20-33(5)23-15-25-34(6)24-14-21-31(3)18-11-12-19-32(4)22-16-26-35(7)27-28-37-36(8)39(42)38(41)29-40(37,9)10/h11-12,14-19,21-28,38-39,41-42H,13,20,29H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,31-18+,32-19+,33-23+,34-24+,35-26+/t38-,39-/m1/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=C(\C)/CC/C=C(\C)/C)=C(C)[C@@H](O)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163031666

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
264483

> <CITATION>
22790171

$$$$