LMPK15030069
  LIPID_MAPS_STRUCTURE_DATABASE

 27 28  0     0  0            999 V2000
    6.2250   -5.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0910   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0910   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3589   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3589   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -5.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -4.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929   -7.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8231   -5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -4.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2250   -8.3250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -7.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570   -8.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5551   -6.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5551   -5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891   -5.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891   -4.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0910   -8.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6890   -7.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4072   -7.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0145   -8.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1593   -9.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9730   -8.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7230   -9.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2884  -10.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7416  -10.0623    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  0     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
 25 26  1  0     0  0
 23 27  1  0     0  0
M  END
> <LM_ID>
LMPK15030069

> <COMMON_NAME>
Radicicol C

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H21O8Cl

> <MASS>
400.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KRODDZHZLZSLCJ-GZBTXMQWSA-N

> <INCHI>
InChI=1S/C18H21ClO8/c1-8-4-9(20)2-3-12(22)13(23)6-10(21)5-11-16(18(26)27-8)14(24)7-15(25)17(11)19/h2-3,7-9,12-13,20,22-25H,4-6H2,1H3/b3-2+/t8-,9?,12?,13?/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
76336277

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
112175

> <CITATION>
24495105

$$$$