LMPK15030071
  LIPID_MAPS_STRUCTURE_DATABASE

 26 27  0     0  0            999 V2000
    6.1050   -5.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9543   -5.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9543   -6.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1050   -7.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556   -6.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556   -5.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8036   -5.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1050   -4.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4062   -7.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6529   -5.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8036   -4.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1050   -8.1644    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8036   -7.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8036   -8.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3515   -6.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3515   -5.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5022   -5.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5022   -4.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9543   -8.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5021   -7.1836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1872   -7.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8021   -8.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441   -9.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8000   -8.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5355   -9.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5151   -9.8683    0.0000 O   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
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  6     0  0
 17 10  1  0     0  0
 14 19  2  0     0  0
 15 20  1  6     0  0
 21 15  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 24 25  1  0     0  0
 14 24  1  0     0  0
 25 23  1  0     0  0
 23 26  1  6     0  0
M  END
> <LM_ID>
LMPK15030071

> <COMMON_NAME>
Pochonin N

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H21O7Cl

> <MASS>
384.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UGYZEXDMXHEULY-DZACAUHISA-N

> <INCHI>
InChI=1S/C18H21ClO7/c1-9-6-11(21)4-2-10(20)3-5-12(22)7-13-16(18(25)26-9)14(23)8-15(24)17(13)19/h2,4,8-11,20-21,23-24H,3,5-7H2,1H3/b4-2+/t9-,10+,11+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42612415

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
112175

> <CITATION>
24495105

$$$$