NP-MRD: Showing NP-Card for (1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one (NP0306408)

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Record Information

Version

2.0

Created at

2022-09-10 22:51:28 UTC

Updated at

2024-09-12 20:33:20 UTC

NP-MRD ID

NP0306408

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one

Description

(1S,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]Pentadec-9-en-3-one belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one is found in Aspergillus ostianus. Based on a literature review very few articles have been published on (1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]Pentadec-9-en-3-one.

Structure

MOL SDF PDB SMILES InChI

NP0306408
  Mrv2104 05272323053D          

 40 41  0  0  0  0            999 V2000
   -3.5994    1.6855   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917    0.7594    0.0459 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7318   -0.5348    0.8073 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0991   -1.7362   -0.0824 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9865   -2.2639   -1.0111 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6463   -2.3262   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065   -1.5943   -0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6108   -1.3281    0.1273 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9440   -1.2004   -0.6319 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8680   -0.1989    0.0707 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2095    1.1892    0.2067 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6259    1.7893    1.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6786    1.0644    0.1361 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8845    2.2307    0.7128 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4715    2.1627    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021    2.6188   -1.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    1.4096    0.7879 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2987   -0.1258    0.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    2.0020    0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3495    2.5989   -0.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4351    1.1960   -0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    0.5199   -0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.8146    1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.3480    1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9799   -1.4906   -0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040   -2.5562    0.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2575   -3.2671   -1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9381   -1.6302   -1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5972   -2.8726    0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210   -1.0070   -1.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7113   -2.1165    0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780   -0.8640   -1.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4249   -2.1826   -0.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8088   -0.1032   -0.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1378   -0.5896    1.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5462    1.8503   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5969    1.7505    1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    0.9482   -0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286    3.1986    0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7728    2.1766    1.8006 H   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  2  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17  2  1  0  0  0  0
 18  8  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  6  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  6  0  0  0
 12 37  1  0  0  0  0
 13 38  1  6  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
M  END

NP0306408
  Mrv2104 05272323053D          

 40 41  0  0  0  0            999 V2000
   -3.5994    1.6855   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3917    0.7594    0.0459 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7318   -0.5348    0.8073 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0991   -1.7362   -0.0824 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9865   -2.2639   -1.0111 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6463   -2.3262   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065   -1.5943   -0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6108   -1.3281    0.1273 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9440   -1.2004   -0.6319 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8680   -0.1989    0.0707 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2095    1.1892    0.2067 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6259    1.7893    1.4323 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6786    1.0644    0.1361 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8845    2.2307    0.7128 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4715    2.1627    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021    2.6188   -1.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    1.4096    0.7879 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2987   -0.1258    0.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    2.0020    0.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3495    2.5989   -0.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4351    1.1960   -0.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0329    0.5199   -0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.8146    1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.3480    1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9799   -1.4906   -0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040   -2.5562    0.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2575   -3.2671   -1.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9381   -1.6302   -1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5972   -2.8726    0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210   -1.0070   -1.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7113   -2.1165    0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780   -0.8640   -1.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4249   -2.1826   -0.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8088   -0.1032   -0.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1378   -0.5896    1.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5462    1.8503   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5969    1.7505    1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    0.9482   -0.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286    3.1986    0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7728    2.1766    1.8006 H   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  2  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17  2  1  0  0  0  0
 18  8  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  6  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  6  0  0  0
 12 37  1  0  0  0  0
 13 38  1  6  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0306408

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])O[C@@]1([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C2/[H]

> <INCHI_IDENTIFIER>
InChI=1/C14H22O4/c1-10-5-3-2-4-6-11-7-8-12(15)13(18-11)9-14(16)17-10/h4,6,10-13,15H,2-3,5,7-9H2,1H3/b6-4+/t10-,11+,12+,13+/s2

> <INCHI_KEY>
FDJDTDDUDZAAFP-MFLPQKKWNA-N

> <FORMULA>
C14H22O4

> <MOLECULAR_WEIGHT>
254.326

> <EXACT_MASS>
254.151809188

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
27.58124864183117

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,5R,9E,11R,14S)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one

> <JCHEM_LOGP>
1.8305004899999993

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.173179964602147

> <JCHEM_PKA_STRONGEST_BASIC>
-3.160451083483021

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
68.1349

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1S,5R,9E,11R,14S)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-MAY-23   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: NP0306408                                         
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-23         0                                  
HETATM    1  C   UNK     0      -3.599   1.686  -0.047  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.392   0.759   0.046  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.732  -0.535   0.807  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.099  -1.736  -0.082  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.986  -2.264  -1.011  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.646  -2.326  -0.333  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.407  -1.594  -0.736  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.611  -1.328   0.127  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.944  -1.200  -0.632  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.868  -0.199   0.071  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.209   1.189   0.207  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.626   1.789   1.432  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.679   1.064   0.136  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.885   2.231   0.713  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.472   2.163   0.056  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.702   2.619  -1.059  0.00  0.00           O+0
HETATM   17  O   UNK     0      -1.336   1.410   0.788  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.299  -0.126   0.847  0.00  0.00           O+0
HETATM   19  H   UNK     0      -3.928   2.002   0.949  0.00  0.00           H+0
HETATM   20  H   UNK     0      -3.349   2.599  -0.596  0.00  0.00           H+0
HETATM   21  H   UNK     0      -4.435   1.196  -0.556  0.00  0.00           H+0
HETATM   22  H   UNK     0      -2.033   0.520  -0.961  0.00  0.00           H+0
HETATM   23  H   UNK     0      -1.900  -0.815   1.466  0.00  0.00           H+0
HETATM   24  H   UNK     0      -3.572  -0.348   1.489  0.00  0.00           H+0
HETATM   25  H   UNK     0      -3.980  -1.491  -0.688  0.00  0.00           H+0
HETATM   26  H   UNK     0      -3.404  -2.556   0.581  0.00  0.00           H+0
HETATM   27  H   UNK     0      -2.257  -3.267  -1.360  0.00  0.00           H+0
HETATM   28  H   UNK     0      -1.938  -1.630  -1.905  0.00  0.00           H+0
HETATM   29  H   UNK     0      -0.597  -2.873   0.607  0.00  0.00           H+0
HETATM   30  H   UNK     0       0.321  -1.007  -1.647  0.00  0.00           H+0
HETATM   31  H   UNK     0       1.711  -2.116   0.883  0.00  0.00           H+0
HETATM   32  H   UNK     0       2.778  -0.864  -1.664  0.00  0.00           H+0
HETATM   33  H   UNK     0       3.425  -2.183  -0.708  0.00  0.00           H+0
HETATM   34  H   UNK     0       4.809  -0.103  -0.484  0.00  0.00           H+0
HETATM   35  H   UNK     0       4.138  -0.590   1.060  0.00  0.00           H+0
HETATM   36  H   UNK     0       3.546   1.850  -0.600  0.00  0.00           H+0
HETATM   37  H   UNK     0       4.597   1.751   1.468  0.00  0.00           H+0
HETATM   38  H   UNK     0       1.407   0.948  -0.922  0.00  0.00           H+0
HETATM   39  H   UNK     0       1.329   3.199   0.458  0.00  0.00           H+0
HETATM   40  H   UNK     0       0.773   2.177   1.801  0.00  0.00           H+0
CONECT    1    2   19   20   21                                             
CONECT    2    1    3   17   22                                             
CONECT    3    2    4   23   24                                             
CONECT    4    3    5   25   26                                             
CONECT    5    4    6   27   28                                             
CONECT    6    5    7   29                                                  
CONECT    7    6    8   30                                                  
CONECT    8    7    9   18   31                                             
CONECT    9    8   10   32   33                                             
CONECT   10    9   11   34   35                                             
CONECT   11   10   12   13   36                                             
CONECT   12   11   37                                                       
CONECT   13   11   14   18   38                                             
CONECT   14   13   15   39   40                                             
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    2                                                       
CONECT   18   13    8                                                       
CONECT   19    1                                                            
CONECT   20    1                                                            
CONECT   21    1                                                            
CONECT   22    2                                                            
CONECT   23    3                                                            
CONECT   24    3                                                            
CONECT   25    4                                                            
CONECT   26    4                                                            
CONECT   27    5                                                            
CONECT   28    5                                                            
CONECT   29    6                                                            
CONECT   30    7                                                            
CONECT   31    8                                                            
CONECT   32    9                                                            
CONECT   33    9                                                            
CONECT   34   10                                                            
CONECT   35   10                                                            
CONECT   36   11                                                            
CONECT   37   12                                                            
CONECT   38   13                                                            
CONECT   39   14                                                            
CONECT   40   14                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₄H₂₂O₄

Average Mass

254.3260 Da

Monoisotopic Mass

254.15181 Da

IUPAC Name

(1S,5R,9E,11R,14S)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one

Traditional Name

(1S,5R,9E,11R,14S)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one

CAS Registry Number

Not Available

SMILES

[H]O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])O[C@@]1([H])C([H])([H])C(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])\C([H])=C2/[H]

InChI Identifier

InChI=1/C14H22O4/c1-10-5-3-2-4-6-11-7-8-12(15)13(18-11)9-14(16)17-10/h4,6,10-13,15H,2-3,5,7-9H2,1H3/b6-4+/t10-,11+,12+,13+/s2

InChI Key

FDJDTDDUDZAAFP-MFLPQKKWNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aspergillus ostianus	LOTUS Database	35616633

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Oxane
Carboxylic acid ester
Lactone
Secondary alcohol
Carboxylic acid derivative
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Oxacycle
Organoheterocyclic compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Alcohol
Organooxygen compound
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	1.83	ChemAxon
pKa (Strongest Acidic)	14.17	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.76 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	68.13 m³·mol⁻¹	ChemAxon
Polarizability	27.58 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one (NP0306408)

MOL for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)

3D MOL for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)

3D SDF for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)

3D-SDF for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)

PDB for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)

3D PDB for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)

SMILES for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)

INCHI for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)

Structure for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)

3D Structure for NP0306408 ((1s,5r,9e,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one)