LMPK15030016
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  0     0  0            999 V2000
   -0.9676    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9676   -0.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794   -0.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087   -0.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8087    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0794    1.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0641   -1.4285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7184    1.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7184    1.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5079    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4029    1.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2979    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1929    1.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0878    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9828    1.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8778    0.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  3  7  1  0     0  0
  5  8  1  0     0  0
  1  9  1  0     0  0
  8 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
M  END
> <LM_ID>
LMPK15030016

> <COMMON_NAME>
Climacostol

> <SYSTEMATIC_NAME>
(Z)-5-(non-2-en-1-yl)benzene-1,3-diol

> <FORMULA>
C15H22O2

> <MASS>
234.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5-((Z)-non-2-en-1-yl)resorcinol

> <INCHI_KEY>
VKWFGJNPZKSIEL-FPLPWBNLSA-N

> <INCHI>
InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-9-13-10-14(16)12-15(17)11-13/h7-8,10-12,16-17H,2-6,9H2,1H3/b8-7-

> <SMILES>
C1(O)C=C(C/C=C\CCCCCC)C=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10704873

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
49980

> <CITATION>
-

$$$$