LMPR01071044
  LIPID_MAPS_STRUCTURE_DATABASE

 44 45  0     0  0            999 V2000
    2.5328   -8.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328   -9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4441   -9.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049   -9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3049   -8.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4441   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1656   -9.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4441   -6.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6722   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770   -8.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9377   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7984   -8.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6590   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5198   -8.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4311   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2918   -8.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1526   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0132   -8.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8739   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7853   -8.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6460   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5067   -8.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3673   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2281   -8.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2281   -9.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7853   -9.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9377   -6.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4311   -6.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1394   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0001   -8.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8608   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7216   -8.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5822   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5822   -6.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7216   -6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8608   -6.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7216   -9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4936   -8.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1656   -7.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6826   -9.8198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9769   -6.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911  -10.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4491   -6.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.4531   -5.2934    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
 34 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <LM_ID>
LMPR01071044

> <COMMON_NAME>
3,3'-Dimethoxyleprotene

> <SYSTEMATIC_NAME>
3,3'-Dimethoxyl-phi,phi-Carotene

> <FORMULA>
C42H52O2

> <MASS>
588.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,3'-Dimethoxy-isorenieratene

> <INCHI_KEY>
SOXWBUZWHMMBGV-QQXHRLQXSA-N

> <INCHI>
InChI=1S/C42H52O2/c1-29(19-15-21-31(3)23-25-39-33(5)27-41(43-11)37(9)35(39)7)17-13-14-18-30(2)20-16-22-32(4)24-26-40-34(6)28-42(44-12)38(10)36(40)8/h13-28H,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+

> <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(OC)=C(C)C=2C)\C)=C(C)C=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12084686

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41951

> <CITATION>
29795673

$$$$