LMPK15030075
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    6.2801   -5.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1539   -5.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1539   -6.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2801   -7.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4064   -6.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4064   -5.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0275   -5.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2801   -4.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327   -7.3898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9011   -5.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0275   -4.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0194   -7.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1260   -8.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2424   -8.8861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0175   -8.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8556   -8.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7471   -8.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5852   -8.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5319   -7.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3700   -6.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6404   -6.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5870   -5.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6956   -5.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422   -4.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8023   -7.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1845   -6.4061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9090   -9.0223    0.0000 H   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
  3 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  6     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  6     0  0
 23 10  1  0     0  0
 16 25  1  0     0  0
 25 21  1  0     0  0
 21 26  1  6     0  0
 16 27  1  1     0  0
M  END
> <LM_ID>
LMPK15030075

> <COMMON_NAME>
Pochonin J

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H22O7

> <MASS>
350.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Phenolic lipids [PK15]

> <SUB_CLASS>
Alkyl resorcinols and derivatives [PK1503]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IZYRYRLSUIPQLP-OLUKKTBOSA-N

> <INCHI>
InChI=1S/C18H22O7/c1-9-4-16-14(21)3-2-13(25-16)7-11(19)5-10-6-12(20)8-15(22)17(10)18(23)24-9/h6,8-9,13-14,16,20-22H,2-5,7H2,1H3/t9-,13-,14-,16+/m1/s1

> <SMILES>
C1(O)=CC(O)=CC2CC(C[C@]3([H])O[C@@]([H])(C[C@H](OC(=O)C1=2)C)[C@H](O)CC3)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102035232

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
280754

> <CITATION>
-

$$$$