LMPK15030074
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    6.2001   -5.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627   -5.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627   -6.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001   -7.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -6.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3375   -5.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9252   -5.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001   -4.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4749   -7.2956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7877   -5.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9252   -4.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001   -8.2917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9172   -7.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0225   -8.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8820   -8.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1501   -8.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7544   -8.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7675   -7.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6139   -8.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6009   -9.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7284  -10.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8690   -9.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9080   -6.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5356   -7.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  2  7  1  0     0  0
  1  8  1  0     0  0
  5  9  1  0     0  0
  7 10  1  0     0  0
  7 11  2  0     0  0
  4 12  1  0     0  0
  3 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 15  2  0     0  0
 18 23  1  0     0  0
 23 24  1  1     0  0
 23 10  1  0     0  0
M  END
> <LM_ID>
LMPK15030074

> <COMMON_NAME>
Pochonin I

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H15O5Cl

> <MASS>
346.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XQFBITSYAUZTRB-SECBINFHSA-N

> <INCHI>
InChI=1S/C18H15ClO5/c1-9-6-10-4-2-3-5-11(10)13(20)7-12-16(18(23)24-9)14(21)8-15(22)17(12)19/h2-5,8-9,21-22H,6-7H2,1H3/t9-/m1/s1

> <SMILES>
C1(O)=CC(O)=C(Cl)C2CC(=O)C3=CC=CC=C3C[C@H](OC(=O)C1=2)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102035231

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
280754

> <CITATION>
-

$$$$