LMPR01070897
  LIPID_MAPS_STRUCTURE_DATABASE

 41 42  0     0  0            999 V2000
    2.1002  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002  -12.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660  -12.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318  -12.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8318  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7110  -12.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4661  -10.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4658  -10.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7156  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5814  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4472  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3130  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1789  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0446  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9104  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7763  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6421  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5080  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3737  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2395  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1054  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9712  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8370  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7028  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5686  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4345  -11.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3003  -10.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1627  -11.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0285  -10.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0285   -9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1661   -9.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3003   -9.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6629  -12.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6626  -12.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4472   -9.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9104   -9.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7028  -12.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2395  -12.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4312   -9.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8795   -9.4345    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
  4  7  1  0     0  0
  6  8  1  0     0  0
  6  9  1  0     0  0
  5 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 28 33  1  0     0  0
 29 34  1  0     0  0
 29 35  1  0     0  0
 12 36  1  0     0  0
 16 37  1  0     0  0
 25 38  1  0     0  0
 21 39  1  0     0  0
 33 40  1  0     0  0
 31 41  1  6     0  0
M  END
> <LM_ID>
LMPR01070897

> <COMMON_NAME>
alpha-Cryptoxanthin

> <SYSTEMATIC_NAME>
(3'R,6'R)-beta,epsilon-Caroten-3'-ol

> <FORMULA>
C40H56O

> <MASS>
552.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ORAKUVXRZWMARG-DWADUKLPSA-N

> <INCHI>
InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38?/m0/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/C2C(C)=C[C@H](O)CC2(C)C)=C(C)CC1

> <KEGG_ID>
C15981

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23724629

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4072; 35157

> <CITATION>
-

$$$$