LMPK15020002
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
   -1.3378    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3378   -0.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4531   -0.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4316   -0.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4316    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4531    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4378   -1.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939   -0.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2290    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1205    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0120    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7951    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6866    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4697    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3612    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2527    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1443    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0358    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9273    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8189    0.9121    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
  4  9  1  0     0  0
  8 10  1  0     0  0
 10 11  1  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  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
M  END
> <LM_ID>
LMPK15020002

> <COMMON_NAME>
3-(8Z-pentadecenyl)-catechol

> <SYSTEMATIC_NAME>
(Z)-3-(pentadec-8-en-1-yl)benzene-1,2-diol

> <FORMULA>
C21H34O2

> <MASS>
318.26

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl catechols and derivatives [PK1502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(15:1)-urushiol

> <INCHI_KEY>
GWOCLAPCXDOJRL-FPLPWBNLSA-N

> <INCHI>
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h7-8,15,17-18,22-23H,2-6,9-14,16H2,1H3/b8-7-

> <SMILES>
C1C=C(CCCCCCC/C=C\CCCCCC)C(O)=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12444627

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$