LMPR01070557
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
    2.1948  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1948  -11.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309  -11.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9159  -11.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9159  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7519   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6370  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3088  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1940   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0299  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8658   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7509  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5868   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4227  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3078   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1437  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9798   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8648  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7007   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5367  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5391   -8.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5225   -8.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7519  -11.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4217   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2577  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5367  -11.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1437  -11.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4730   -8.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8658   -8.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0936   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9788  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8147   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9788  -11.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6506  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4865   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3224  -10.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1584   -9.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3224  -11.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3353  -11.6303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6370  -11.1379    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
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  2  0     0  0
  7  8  1  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
 22 28  1  0     0  0
 18 29  1  0     0  0
  9 30  1  0     0  0
 13 31  1  0     0  0
 27 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 33 35  1  0     0  0
 34 36  1  0     0  0
 36 37  1  0     0  0
 37 38  2  0     0  0
 38 39  1  0     0  0
 38 40  1  0     0  0
  2 41  1  0     0  0
  8 42  1  0     0  0
  4 42  1  0     0  0
M  END
> <LM_ID>
LMPR01070557

> <COMMON_NAME>
Rubichrome

> <SYSTEMATIC_NAME>
5,8-Epoxy-5,8-dihydro-beta,psi-caroten-3-ol

> <FORMULA>
C40H56O2

> <MASS>
568.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XUVZSAFURDVSTH-VPXJSWGOSA-N

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

> <SMILES>
C1C(C)(C)C2=CC(OC2(C)CC1O)/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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12315087

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
13707

> <CITATION>
20294189

$$$$