LMPR01070530
  LIPID_MAPS_STRUCTURE_DATABASE

 43 43  0     0  0            999 V2000
    1.3146  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3146  -11.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788  -11.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430  -11.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0430  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9249   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7892  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6533   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5174  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2455  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1098   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9741  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7023  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5663   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4306  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2949   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1589  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0230   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8871  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7512   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6154  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4796   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3438  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2077   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0720  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9363   -9.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8004  -10.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6533   -8.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1098   -8.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4306  -11.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8871  -11.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3438  -11.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6758   -9.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8005  -11.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8983  -11.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718   -8.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6857   -8.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4418   -9.6078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6660  -10.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9358   -8.5918    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  2  0     0  0
 28 29  1  0     0  0
 29 30  1  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
  6 39  1  0     0  0
  6 40  1  0     0  0
  1 41  1  0     0  0
 30 42  1  0     0  0
 29 43  1  0     0  0
M  END
> <LM_ID>
LMPR01070530

> <COMMON_NAME>
2-Hydroxyplectaniaxanthin

> <SYSTEMATIC_NAME>
3',4'-Didehydro-1',2'-dihydro-beta,psi-carotene-2,1',2'-triol

> <FORMULA>
C40H56O3

> <MASS>
584.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KIFXLIDQNLMTHV-KYTIYTEMSA-N

> <INCHI>
InChI=1S/C40H56O3/c1-30(18-13-20-32(3)21-15-23-34(5)25-28-38(42)40(9,10)43)16-11-12-17-31(2)19-14-22-33(4)24-27-36-35(6)26-29-37(41)39(36,7)8/h11-25,27-28,37-38,41-43H,26,29H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,27-24+,28-25+,30-16+,31-17+,32-20+,33-22+,34-23+

> <SMILES>
C1(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/C=C(\C)/C=C/C(O)C(C)(O)C)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443533

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
91979

> <CITATION>
-

$$$$