LMPR01071042
  LIPID_MAPS_STRUCTURE_DATABASE

 42 43  0     0  0            999 V2000
   10.3822  -15.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3822  -16.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2934  -16.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1541  -16.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1541  -15.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2934  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0148  -16.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2934  -13.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5216  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9261  -15.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7868  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6474  -15.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5080  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3687  -15.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2799  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1406  -15.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0013  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8619  -15.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7226  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6338  -15.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4945  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3552  -15.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2158  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0764  -15.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0764  -16.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6338  -16.1454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7868  -13.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2799  -13.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9877  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8484  -15.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7089  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5698  -15.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4303  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4303  -13.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5698  -13.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7089  -13.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5698  -16.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3416  -15.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0148  -14.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5320  -16.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8251  -13.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5405  -17.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 11 27  1  0  0  0  0
 15 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 10 39  2  0  0  0  0
 39  5  1  0  0  0  0
  2 40  1  0  0  0  0
 36 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <LM_ID>
LMPR01071042

> <COMMON_NAME>
3-Methoxyleprotene

> <SYSTEMATIC_NAME>
3-Methoxyl-phi,phi-Carotene

> <FORMULA>
C41H50O

> <MASS>
558.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-Methoxy-isorenieratene

> <INCHI_KEY>
AYJYTLZCTMNXDL-LWXSITGBSA-N

> <INCHI>
InChI=1S/C41H50O/c1-29(18-14-20-31(3)22-26-39-34(6)25-24-33(5)36(39)8)16-12-13-17-30(2)19-15-21-32(4)23-27-40-35(7)28-41(42-11)38(10)37(40)9/h12-28H,1-11H3/b13-12+,18-14+,19-15+,26-22+,27-23+,29-16+,30-17+,31-20+,32-21+

> <SMILES>
C1(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)=CC=C(C)C=2C)\C)=C(C)C=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119026

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41951

> <CITATION>
29795673

$$$$