LMPK15030081
  LIPID_MAPS_STRUCTURE_DATABASE

 42 42  0  0  0  0  0  0  0  0999 V2000
    6.8369   -5.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5673   -5.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7037   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5673   -6.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8369   -6.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7059   -7.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7043   -4.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8386   -3.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9710   -5.4006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9724   -7.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1049   -6.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2403   -7.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3729   -6.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432   -8.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -7.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6408   -6.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -7.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0912   -6.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791   -8.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7098   -8.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8457   -8.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4335   -5.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2993   -5.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1475   -5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1475   -4.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0215   -5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8957   -5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7701   -5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6445   -5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5188   -5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3931   -5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2675   -5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1419   -5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0161   -5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8905   -5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7649   -5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6392   -5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5135   -5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3879   -5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2623   -5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1365   -5.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0109   -5.4111    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
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  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  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  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
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK15030081

> <COMMON_NAME>
Hericene B

> <SYSTEMATIC_NAME>
(4-(3,7-Dimethylocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl (9Z)-octadec-9-enoic acid

> <FORMULA>
C37H58O5

> <MASS>
582.43

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(4-(3,7-Dimethylocta-2,6-dien-1-yl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl oleoyate; Hericene D

> <INCHI_KEY>
UJSYMVCGDZCLIO-LTBKHPPLSA-N

> <INCHI>
InChI=1S/C37H58O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h13-14,22,25,27-28,40H,6-12,15-21,23-24,26,29H2,1-5H3/b14-13-,31-25+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
172758

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101670645

> <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>
-

$$$$