LMPK01000062
  LIPID_MAPS_STRUCTURE_DATABASE

 41 47  0     0  0            999 V2000
    0.4308    0.7461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968    0.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1628    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674    1.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455    1.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7455    1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0764    0.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.8620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2843   -0.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7400    0.9779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1523    3.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    4.5941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6523    4.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1523    3.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6522    2.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523    3.7280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1523    5.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4581   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9849   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2484   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5118   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7753   -0.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1912    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3229    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4546    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5863    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7181    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8498    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9815    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1132    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2449    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3767    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5084    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6401    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7718    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9035    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0352    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308   -0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  3  1  0     0  0
  3  2  1  1     0  0
  5  8  1  1     0  0
  7  9  1  6     0  0
  6 10  1  6     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15  8  1  0     0  0
 11 16  2  0     0  0
 13 17  2  0     0  0
 25 18  1  1     0  0
 24 18  1  1     0  0
 29 19  1  1     0  0
 28 19  1  1     0  0
 31 20  1  1     0  0
 30 20  1  1     0  0
 33 21  1  1     0  0
 32 21  1  1     0  0
 35 22  1  1     0  0
 34 22  1  1     0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 41 39  1  0  0  0  0
 41 40  2  0  0  0  0
  1 41  1  0  0  0  0
M  END
> <LM_ID>
LMPK01000062

> <COMMON_NAME>
Jawsamycin

> <SYSTEMATIC_NAME>


> <FORMULA>
C32H43N3O6

> <MASS>
565.32

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Linear polyketides [PK01]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
FR-900848

> <INCHI_KEY>
QOOORVUXEUQEKV-KNLYTHMISA-N

> <INCHI>
InChI=1S/C32H43N3O6/c1-16-10-17(16)6-7-19-12-21(19)23-14-25(23)24-13-22(24)20-11-18(20)4-2-3-5-27(36)33-15-26-29(38)30(39)31(41-26)35-9-8-28(37)34-32(35)40/h2-7,16-26,29-31,38-39H,8-15H2,1H3,(H,33,36)(H,34,37,40)/b4-2+,5-3+,7-6+/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,29-,30-,31-/m1/s1

> <SMILES>
N(C(=O)/C=C/C=C/[C@H]1[C@H]([C@H]2[C@H]([C@H]3[C@H]([C@H]4[C@H](/C=C/[C@H]5[C@H](C)C5)C4)C3)C2)C1)C[C@@H]1[C@@H](O)[C@@H](O)[C@H](N2CCC(=O)NC2=O)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
156382

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10415505

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
66429

> <CITATION>
-

$$$$