LMPR02030001
  LIPID_MAPS_STRUCTURE_DATABASE

 43 44  0  0  0  0  0  0  0  0999 V2000
    9.2954    9.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2179    9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2179    7.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2954    7.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3709    7.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3709    9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2954   10.8191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2954    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3045    9.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1122    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9008    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6894    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4781    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2665    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0551    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8440    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6323    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4210    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2098    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9982    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7870    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3642    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1528    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9414    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7299    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5185    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3073    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0958    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8845    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6731    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4616    7.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2503    7.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6894    6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8440    6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9982    6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1528    6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3073    6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4616    6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    9.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    7.2804    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  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  1  0  0  0  0
  5 10  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  1  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  1  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  1  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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  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
 12 34  1  0  0  0  0
 16 35  1  0  0  0  0
 20 36  1  0  0  0  0
 24 37  1  0  0  0  0
 28 38  1  0  0  0  0
 32 39  1  0  0  0  0
  2 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43  3  1  0  0  0  0
M  END
> <LM_ID>
LMPR02030001

> <COMMON_NAME>
Vitamin K2

> <SYSTEMATIC_NAME>
2-(-3,7,11,15,19,23-hexamethyltetracosa-2E,6E,10E,14E,18E,22-hexaenyl)-3-methylnaphthalene-1,4-dione

> <FORMULA>
C41H56O2

> <MASS>
580.43

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin K [PR0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Menaquinone-6; Farnoquinone

> <INCHI_KEY>
PFRQBZFETXBLTP-RCIYGOBDSA-N

> <INCHI>
InChI=1S/C41H56O2/c1-30(2)16-11-17-31(3)18-12-19-32(4)20-13-21-33(5)22-14-23-34(6)24-15-25-35(7)28-29-37-36(8)40(42)38-26-9-10-27-39(38)41(37)43/h9-10,16,18,20,22,24,26-28H,11-15,17,19,21,23,25,29H2,1-8H3/b31-18+,32-20+,33-22+,34-24+,35-28+

> <SMILES>
C1(=O)C(C)=C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C(=O)C2C=CC=CC1=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283547

> <LIPIDBANK_ID>
VVK0001

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 3712

> <CITATION>
2753953

$$$$