LMPR01070987
  LIPID_MAPS_STRUCTURE_DATABASE

 41 42  0     0  0            999 V2000
   10.8958  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8958  -16.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7612  -16.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6267  -16.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6267  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7612  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5055  -16.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2615  -13.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2609  -13.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0303  -16.6426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5101  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3756  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2410  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1065  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9720  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8375  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7029  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5683  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4338  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2993  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1647  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0302  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8957  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7612  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6266  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4921  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3575  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2230  -15.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0885  -14.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9506  -15.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8160  -14.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8160  -13.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9540  -13.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0885  -13.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2410  -13.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7029  -13.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4921  -16.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0302  -16.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2197  -13.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9506  -16.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6734  -15.1371    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  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
  6  8  1  0     0  0
  6  9  1  0     0  0
  2 10  1  1     0  0
  5 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
 30 31  2  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 29 34  2  0     0  0
 13 35  1  0     0  0
 17 36  1  0     0  0
 26 37  1  0     0  0
 22 38  1  0     0  0
 34 39  1  0     0  0
 30 40  1  0     0  0
 31 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070987

> <COMMON_NAME>
Agelaxanthin A

> <SYSTEMATIC_NAME>
(3R)-beta,phi-Caroten-3-ol

> <FORMULA>
C40H52O

> <MASS>
548.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QKSYRDNACIUQLX-JWHGNKDISA-N

> <INCHI>
InChI=1S/C40H52O/c1-29(17-13-19-31(3)21-25-38-34(6)24-23-33(5)36(38)8)15-11-12-16-30(2)18-14-20-32(4)22-26-39-35(7)27-37(41)28-40(39,9)10/h11-26,37,41H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t37-/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/C2=C(C)C=CC(C)=C2C)=C(C)C[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23425010

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2723817

> <CITATION>
-

$$$$