LMPK15030068
  LIPID_MAPS_STRUCTURE_DATABASE

 26 27  0     0  0            999 V2000
    6.2251   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0911   -5.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0911   -6.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2251   -7.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590   -6.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590   -5.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9571   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2251   -4.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930   -7.3251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8232   -5.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9571   -4.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2251   -8.3251    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9571   -7.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9571   -8.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8231   -8.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6892   -8.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552   -8.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4212   -8.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4212   -7.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552   -6.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552   -5.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6892   -5.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6892   -4.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0911   -8.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891   -7.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2873   -6.8252    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
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  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  6     0  0
 22 10  1  0     0  0
 14 24  2  0     0  0
 20 25  1  6     0  0
 19 26  1  1     0  0
M  END
> <LM_ID>
LMPK15030068

> <COMMON_NAME>
Radicicol B

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H19O7Cl

> <MASS>
382.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CLGQXJMBZGYSJL-DNUHDEBKSA-N

> <INCHI>
InChI=1S/C18H19ClO7/c1-9-6-13(22)12(21)5-3-2-4-10(20)7-11-16(18(25)26-9)14(23)8-15(24)17(11)19/h2-5,8-9,12-13,21-24H,6-7H2,1H3/b4-2+,5-3-/t9-,12+,13-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45268261

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
112175

> <CITATION>
24495105

$$$$