LMSP01080096
  LIPID_MAPS_STRUCTURE_DATABASE

 31 31  0  0  0  0  0  0  0  0999 V2000
    5.8770   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7528   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6286   -5.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5044   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3801   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2559   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1315   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0072   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8830   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7587   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6346   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5103   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3861   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2618   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0501   -5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0242   -6.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9982   -5.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9723   -6.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0242   -7.3237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0501   -5.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1255   -5.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0147   -7.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366   -7.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7650   -7.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4248   -7.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1968   -7.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1968   -8.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3308   -7.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595   -6.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935   -5.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  6  0  0  0
 15 20  2  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  2  0  0  0  0
  4 24  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  2  0     0  0
 27 29  1  0     0  0
 22 30  1  0     0  0
 30 31  1  0     0  0
M  END
> <LM_ID>
LMSP01080096

> <COMMON_NAME>
Calicogorgin B

> <SYSTEMATIC_NAME>
N-[(2S)-13-(3,4-dimethyl-5-pentylfuran-2-yl)-1-hydroxy-3-oxotridecan-2-yl]acetamide

> <FORMULA>
C26H45NO4

> <MASS>
435.33

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XEIDOOQMCAXMJT-QHCPKHFHSA-N

> <INCHI>
InChI=1S/C26H45NO4/c1-5-6-13-17-25-20(2)21(3)26(31-25)18-15-12-10-8-7-9-11-14-16-24(30)23(19-28)27-22(4)29/h23,28H,5-19H2,1-4H3,(H,27,29)/t23-/m0/s1

> <SMILES>
C(CCCC)C1=C(C)C(C)=C(CCCCCCCCCCC(=O)[C@@H](NC(C)=O)CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9980427

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
58797

> <CITATION>
-

$$$$