NP-MRD: Showing NP-Card for (1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione (NP0241650)

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Record Information

Version

2.0

Created at

2022-09-07 01:47:09 UTC

Updated at

2022-09-07 01:47:09 UTC

NP-MRD ID

NP0241650

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione

Description

Wortmannilactone I3 belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. (1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione is found in Talaromyces wortmannii. Based on a literature review very few articles have been published on Wortmannilactone I3.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309072203472D          

 35 37  0  0  1  0            999 V2000
    4.2561   -3.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9706   -2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6850   -3.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3995   -2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140   -3.1695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8285   -2.7570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8285   -1.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5429   -1.5195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5429   -0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2574   -1.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9719   -1.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2574   -2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5429   -3.1695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9302   -3.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1556   -3.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3311   -3.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5928   -4.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2055   -5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6427   -6.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2553   -6.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6925   -7.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3052   -8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807   -8.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934   -8.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0164   -8.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8619   -9.3035    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5976   -8.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7887   -8.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5245   -7.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2440   -8.9796    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4350   -8.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5082   -9.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9635  -10.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3171   -9.9231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5813  -10.7047    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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  1  0  0  0
M  END


  Mrv1652309072203472D          

 35 37  0  0  1  0            999 V2000
    4.2561   -3.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9706   -2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6850   -3.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3995   -2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140   -3.1695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8285   -2.7570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8285   -1.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5429   -1.5195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5429   -0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2574   -1.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9719   -1.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2574   -2.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5429   -3.1695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9302   -3.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1556   -3.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3311   -3.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5928   -4.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2055   -5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6427   -6.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2553   -6.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6925   -7.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3052   -8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4807   -8.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934   -8.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0164   -8.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8619   -9.3035    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5976   -8.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7887   -8.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5245   -7.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2440   -8.9796    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4350   -8.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5082   -9.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9635  -10.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3171   -9.9231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5813  -10.7047    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
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 26 34  1  0  0  0  0
 34 35  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0241650

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCO[C@H]1O[C@H](C)C(C)=C[C@@]1(C)C(\C)=C\C=C\C=C\C=C\C1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C

> <INCHI_IDENTIFIER>
InChI=1S/C30H42O5/c1-9-10-18-33-27-28(6,19-20(2)23(5)34-27)21(3)16-14-12-11-13-15-17-29(7)25-22(4)24(31)30(29,8)26(32)35-25/h11-17,19,22-23,25,27H,9-10,18H2,1-8H3/b13-11+,14-12+,17-15+,21-16+/t22-,23+,25-,27-,28-,29?,30-/m0/s1

> <INCHI_KEY>
JDSWVUFJTYMAPS-BTEWLGSVSA-N

> <FORMULA>
C30H42O5

> <MOLECULAR_WEIGHT>
482.661

> <EXACT_MASS>
482.303224452

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
57.041081953488586

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4S,6R)-7-[(1E,3E,5E,7E)-8-[(2S,3S,6R)-2-butoxy-3,5,6-trimethyl-3,6-dihydro-2H-pyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione

> <JCHEM_LOGP>
6.827912442999998

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.733840587086906

> <JCHEM_PKA_STRONGEST_BASIC>
-4.048098823454482

> <JCHEM_POLAR_SURFACE_AREA>
61.830000000000005

> <JCHEM_REFRACTIVITY>
143.80110000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4S,6R)-7-[(1E,3E,5E,7E)-8-[(2S,3S,6R)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       7.945  -5.916   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.278  -5.146   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.612  -5.916   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.946  -5.146   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      13.279  -5.916   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      14.613  -5.146   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      14.613  -3.606   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      15.947  -2.836   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.947  -1.296   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.280  -3.606   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      18.614  -2.836   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.280  -5.146   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.947  -5.916   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.670  -7.276   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.224  -7.276   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.685  -7.330   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      16.040  -8.582   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.317  -9.942   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.133 -11.248   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      15.410 -12.608   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.226 -13.914   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.503 -15.273   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.964 -15.327   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.241 -16.687   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.097 -15.154   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.675 -17.367   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      14.182 -15.908   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      12.672 -15.605   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      12.179 -14.147   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      11.655 -16.762   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.145 -16.460   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.149 -18.221   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      11.132 -19.377   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      13.659 -18.523   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.152 -19.982   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12    6   14   15                                             
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26   30                                             
CONECT   25   24                                                            
CONECT   26   24   27   34                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   24   31   32                                             
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   26   35                                                  
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₂O₅

Average Mass

482.6610 Da

Monoisotopic Mass

482.30322 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCO[C@H]1O[C@H](C)C(C)=C[C@@]1(C)C(\C)=C\C=C\C=C\C=C\C1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C

InChI Identifier

InChI=1S/C30H42O5/c1-9-10-18-33-27-28(6,19-20(2)23(5)34-27)21(3)16-14-12-11-13-15-17-29(7)25-22(4)24(31)30(29,8)26(32)35-25/h11-17,19,22-23,25,27H,9-10,18H2,1-8H3/b13-11+,14-12+,17-15+,21-16+/t22-,23+,25-,27-,28-,29?,30-/m0/s1

InChI Key

JDSWVUFJTYMAPS-BTEWLGSVSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Talaromyces wortmannii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactones

Sub Class

Delta valerolactones

Direct Parent

Delta valerolactones

Alternative Parents

Substituents

Delta_valerolactone
Delta valerolactone
Pyran
Oxane
Gamma butyrolactone
Tetrahydrofuran
Ketone
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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

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

78442293

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139584569

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione (NP0241650)

MOL for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)

3D MOL for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)

3D SDF for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)

3D-SDF for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)

PDB for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)

3D PDB for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)

SMILES for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)

INCHI for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)

Structure for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)

3D Structure for NP0241650 ((1s,4s,6r)-7-[(1e,3e,5e,7e)-8-[(2s,3s,6r)-2-butoxy-3,5,6-trimethyl-2,6-dihydropyran-3-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione)