LMPR01080052
  LIPID_MAPS_STRUCTURE_DATABASE

 52 53  0     0  0            999 V2000
    4.3674  -10.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3674  -11.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5739  -10.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7802  -10.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.9866  -10.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7180   -9.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7192   -9.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9708  -12.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8876  -10.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7388  -10.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9866  -11.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5324  -11.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7660  -10.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.6204   -9.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7479   -8.7832    0.0000 C   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  1  6     0  0
  7  8  2  0     0  0
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  6 23  1  0     0  0
  6 24  1  0     0  0
  4 25  2  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
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 35 37  1  0     0  0
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 38 43  1  0     0  0
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M  END
> <LM_ID>
LMPR01080052

> <COMMON_NAME>
Sarcinaxanthin

> <SYSTEMATIC_NAME>
(2R,6R,2'R,6'R)-2,2'-Bis-(4-hydroxy-3-methylbut-2-enyl)-gamma,gamma-carotene

> <FORMULA>
C50H72O2

> <MASS>
704.55

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Polyterpenes [PR0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XFXHBQLETDDGGF-XUYZKQIISA-N

> <INCHI>
InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-48,51-52H,7-8,27-32,35-36H2,1-6,9-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-,47+,48+/m0/s1

> <SMILES>
[C@@H]1(C/C=C(\C)/CO)C(C)(C)[C@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@H]2C(=C)CC[C@H](C/C=C(\C)/CO)C2(C)C)C(=C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10941542

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1270

> <CITATION>
855546

$$$$