LMPK09000036
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0     0  0            999 V2000
    4.2409   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9730   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8390   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9730   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7050   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6186   -2.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2878   -3.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7877   -4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8096   -3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5089   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5089   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2823   -3.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7823   -2.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823   -2.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2823   -3.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823   -4.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7823   -4.0978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2823   -1.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2823   -3.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2823   -4.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2823   -1.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823   -5.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6428   -4.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6428   -5.5000    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
  3  5  1  0     0  0
  4  6  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  6  1  0     0  0
  1 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15  1  2  0     0  0
  8 16  1  6     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 16  1  0     0  0
 17 22  1  0     0  0
 19 23  1  0     0  0
 20 24  1  0     0  0
 18 25  2  0     0  0
 24 26  1  0     0  0
 13 27  1  0     0  0
 27 28  1  0     0  0
 27 29  2  0     0  0
M  CHG  2  27   1  28  -1
M  END
> <LM_ID>
LMPK09000036

> <COMMON_NAME>
Aureothin

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H23NO6

> <MASS>
397.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Polyether antibiotics [PK09]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GQKXCBCSVYJUMI-WACKOAQBSA-N

> <INCHI>
InChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-/t19-/m1/s1

> <SMILES>
C1(=CC=C([N+](=O)[O-])C=C1)/C=C(\C)/C=C1\CO[C@@H](C2OC(OC)=C(C)C(=O)C=2C)C\1

> <KEGG_ID>
C15689

> <HMDB_ID>
-

> <CHEBI_ID>
80024

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6569946

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
66431

> <CITATION>
14700630

$$$$