LMPR01070165
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0  0  0  0  0  0  0  0999 V2000
    7.1305    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8473    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5641    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2810    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9979    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7147    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1484    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8653    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5821    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2989    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0159    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7327    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4495    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1664    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8833    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6001    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3169    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0338    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7507    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2810    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1484    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7327    5.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6001    5.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4194    6.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7082    6.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7082    5.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4194    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1305    5.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4618    6.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1671    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8387    5.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4618    5.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8753    6.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5835    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2918    6.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2918    5.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4194    7.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000    5.8291    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
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  4 21  1  0  0  0  0
  8 22  1  0  0  0  0
 13 23  1  0  0  0  0
 17 24  1  0  0  0  0
 25  1  1  0  0  0  0
 25 26  2  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  1  2  0  0  0  0
 30 20  2  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 36 41  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070165

> <COMMON_NAME>
OH-Chlorobactene

> <SYSTEMATIC_NAME>


> <FORMULA>
C40H54O

> <MASS>
550.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RIDGLTKNIODKLC-YWCRMUQNSA-N

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

> <SMILES>
C1(=C(C)C=CC(C)=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)/CCCC(C)(C)O

> <KEGG_ID>
C15911

> <HMDB_ID>
-

> <CHEBI_ID>
80169

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10099075

> <LIPIDBANK_ID>
VCA1083

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1097

> <CITATION>
9297463

$$$$