LMPR01070633
  LIPID_MAPS_STRUCTURE_DATABASE

 41 42  0     0  0            999 V2000
    2.5820  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5820  -12.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4487  -12.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156  -12.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3156  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4487  -10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2002  -10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338  -10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8006  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6674  -10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5341  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4008  -10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2676  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1343  -10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0012  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8679  -10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7347  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6015  -10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4683  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3350  -10.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2019  -11.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483  -10.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491  -10.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1956  -12.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0639  -10.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9162  -11.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7661  -10.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6172  -11.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4840  -10.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4840   -9.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6330   -9.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7662   -9.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1167  -12.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1176  -12.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8838   -9.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2019  -12.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7347  -12.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9338   -9.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4008   -9.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485  -13.8841    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
  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
 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  2  0     0  0
 32 33  1  0     0  0
 28 33  2  0     0  0
 29 34  1  0     0  0
 29 35  1  0     0  0
 33 36  1  0     0  0
 22 37  1  0     0  0
 18 38  1  0     0  0
  9 39  1  0     0  0
 13 40  1  0     0  0
  3 41  1  0     0  0
M  END
> <LM_ID>
LMPR01070633

> <COMMON_NAME>
3',4'-Didehydroisocryptoxanthin

> <SYSTEMATIC_NAME>
3',4'-Didehydro-beta,beta-caroten-4-ol

> <FORMULA>
C40H54O

> <MASS>
550.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SQSSCRYMQXZJHL-QQGJMDNJSA-N

> <INCHI>
InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-26,38,41H,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+

> <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=CCC2(C)C)=C(C)C(O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11168835

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
113211

> <CITATION>
15659105

$$$$