LMPK15030080
  LIPID_MAPS_STRUCTURE_DATABASE

 40 40  0  0  0  0  0  0  0  0999 V2000
   10.5848   -2.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3152   -2.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4516   -2.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3152   -3.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5848   -3.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4538   -4.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4522   -1.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5865   -0.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7189   -2.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7203   -4.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8528   -3.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9882   -4.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1208   -3.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9911   -5.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2562   -4.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3887   -3.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241   -4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6567   -3.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5270   -5.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4577   -5.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5936   -5.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1814   -2.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0472   -2.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9135   -2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7795   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6455   -2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5115   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3776   -2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2436   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1096   -2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9756   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8417   -2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9137   -1.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7077   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5737   -2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4397   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3058   -2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1718   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0378   -2.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9038   -2.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0     0  0
  1  5  1  0     0  0
  5  6  2  0     0  0
  6  4  1  0     0  0
  4  2  2  0     0  0
  2  3  1  0     0  0
  3  7  1  0     0  0
  7  8  2  0     0  0
  1  9  1  0     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 17 19  1  0     0  0
  6 20  1  0     0  0
 20 21  1  0     0  0
  2 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 24 33  2  0     0  0
 32 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
M  END
> <LM_ID>
LMPK15030080

> <COMMON_NAME>
Hericene A

> <SYSTEMATIC_NAME>
4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl hexadecanoate

> <FORMULA>
C35H56O5

> <MASS>
556.41

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5′-Deoxohericenone C; hexadecanoic acid, [4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2 formyl-3-hydroxy-5-methoxyphenyl]methyl ester

> <INCHI_KEY>
PLUINHYLFTYIKB-BYNJWEBRSA-N

> <INCHI>
InChI=1S/C35H56O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34(37)40-27-30-25-33(39-5)31(35(38)32(30)26-36)24-23-29(4)21-19-20-28(2)3/h20,23,25-26,38H,6-19,21-22,24,27H2,1-5H3/b29-23+

> <SMILES>
C1(O)C(C/C=C(\C)/CC/C=C(\C)/C)=C(OC)C=C(COC(=O)CCCCCCCCCCCCCCC)C=1C=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
172742

> <ABBREVIATION>
-

> <CAYMAN_ID>
45578

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
50925563

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Wax monoesters [FA0701]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
91752

> <CITATION>
-

$$$$