LMPR01071043
  LIPID_MAPS_STRUCTURE_DATABASE

 43 44  0     0  0            999 V2000
    2.7825  -12.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825  -13.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938  -13.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545  -13.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545  -12.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4152  -13.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938  -10.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265  -12.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1872  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0479  -12.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9085  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692  -12.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6805  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5412  -12.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4019  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625  -12.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1232  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0345  -12.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8953  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7560  -12.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6165  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4773  -12.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4773  -13.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0345  -13.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1872  -10.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6805  -10.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3886  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2493  -12.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1099  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9707  -12.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8313  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8313  -10.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9707  -10.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1099  -10.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9707  -13.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7426  -12.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4152  -11.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9323  -13.8221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2260  -10.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9408  -14.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6982  -10.2944    0.0000 O   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
M  END
> <LM_ID>
LMPR01071043

> <COMMON_NAME>
3-Methoxy-3'-hydroxyleprotene

> <SYSTEMATIC_NAME>
3-Methoxyl-phi,phi-Caroten-3'-ol

> <FORMULA>
C41H50O2

> <MASS>
574.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NMDUIRDPZACVNV-OIRRSCHYSA-N

> <INCHI>
InChI=1S/C41H50O2/c1-28(18-14-20-30(3)22-24-38-32(5)26-40(42)36(9)34(38)7)16-12-13-17-29(2)19-15-21-31(4)23-25-39-33(6)27-41(43-11)37(10)35(39)8/h12-27,42H,1-11H3/b13-12+,18-14+,19-15+,24-22+,25-23+,28-16+,29-17+,30-20+,31-21+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119025

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41951

> <CITATION>
29795673

$$$$