NP-MRD: Showing NP-Card for (1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate (NP0236741)

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Record Information

Version

2.0

Created at

2022-09-06 19:42:57 UTC

Updated at

2022-09-06 19:42:57 UTC

NP-MRD ID

NP0236741

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate

Description

(1R,8R,10S,11S)-6-[(3-formylphenoxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-8-yl acetate belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Based on a literature review very few articles have been published on (1R,8R,10S,11S)-6-[(3-formylphenoxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-8-yl acetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062221422D          

 34 37  0  0  1  0            999 V2000
   -0.0471    1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453    0.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.5760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5004   -0.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -0.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530   -1.3952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3833   -2.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3733   -1.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852   -0.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006   -1.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124   -0.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198   -0.7809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111    0.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220    1.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2079    2.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6188    3.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4438    3.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8579    2.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6829    2.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0937    3.0088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4470    1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176    0.8066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4295    1.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562    2.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710    2.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022    1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820    1.1294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2974    1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6562    1.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580   -0.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  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  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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  1  0  0  0  0
 16 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  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  2  0  0  0  0
 16 23  1  0  0  0  0
 13 24  2  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
  3 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  1  0  0  0
  6 34  1  0  0  0  0
  3 34  1  0  0  0  0
M  END


  Mrv1652309062221422D          

 34 37  0  0  1  0            999 V2000
   -0.0471    1.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453    0.9869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.5760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5004   -0.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -0.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530   -1.3952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3833   -2.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3733   -1.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852   -0.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006   -1.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124   -0.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198   -0.7809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111    0.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220    1.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2079    2.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6188    3.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4438    3.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8579    2.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6829    2.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0937    3.0088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4470    1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    0.0536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176    0.8066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4295    1.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562    2.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710    2.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022    1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820    1.1294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2974    1.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6562    1.6670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580   -0.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  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  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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  1  0  0  0  0
 16 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  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  2  0  0  0  0
 16 23  1  0  0  0  0
 13 24  2  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
  3 31  1  0  0  0  0
 31 32  1  6  0  0  0
 31 33  1  1  0  0  0
  6 34  1  0  0  0  0
  3 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0236741

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@]12CC[C@@](C)(O1)\C=C1\OC(=O)C(COC3=CC=CC(C=O)=C3)=C1[C@@H](C[C@]2(C)O)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H28O9/c1-15(27)32-20-12-24(3,29)25(30-4)9-8-23(2,34-25)11-19-21(20)18(22(28)33-19)14-31-17-7-5-6-16(10-17)13-26/h5-7,10-11,13,20,29H,8-9,12,14H2,1-4H3/b19-11+/t20-,23-,24+,25+/m1/s1

> <INCHI_KEY>
FSVDAXLTRBKUBC-VXVAUQSISA-N

> <FORMULA>
C25H28O9

> <MOLECULAR_WEIGHT>
472.49

> <EXACT_MASS>
472.173332482

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
47.72217905601989

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2E,8R,10S,11S)-6-[(3-formylphenoxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl acetate

> <JCHEM_LOGP>
1.7000534370000007

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.045245438203665

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6538096453297157

> <JCHEM_POLAR_SURFACE_AREA>
117.59

> <JCHEM_REFRACTIVITY>
121.40920000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2E,8R,10S,11S)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.088   3.382   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.085   1.842   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.251   1.075   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.934  -0.432   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.564  -1.837   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.899  -2.604   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.582  -4.111   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.430  -2.440   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.572  -1.407   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.908  -2.174   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.050  -1.141   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.557  -1.458   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       7.420   0.265   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.187   1.600   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       9.727   1.603   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      10.494   2.939   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.721   4.271   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.488   5.606   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.028   5.610   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.801   4.278   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.341   4.281   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      15.108   5.617   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      12.034   2.942   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.889   0.100   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.260   1.506   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       6.402   2.539   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.078   4.044   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.612   4.517   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.220   5.077   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.924   2.273   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.393   2.108   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.422   3.648   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       1.225   3.112   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       2.535  -0.559   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   31   34                                             
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   34                                             
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   24                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   24                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   23                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   16                                                       
CONECT   24   13    9   25                                                  
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   25   31                                                       
CONECT   31   30    3   32   33                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34    6    3                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Value	Source
(1R,8R,10S,11S)-6-[(3-Formylphenoxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0,]tetradeca-2,6-dien-8-yl acetic acid	Generator

Chemical Formula

C₂₅H₂₈O₉

Average Mass

472.4900 Da

Monoisotopic Mass

472.17333 Da

IUPAC Name

(1R,2E,8R,10S,11S)-6-[(3-formylphenoxy)methyl]-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl acetate

Traditional Name

(1R,2E,8R,10S,11S)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0^{3,7}]tetradeca-2,6-dien-8-yl acetate

CAS Registry Number

Not Available

SMILES

CO[C@@]12CC[C@@](C)(O1)\C=C1\OC(=O)C(COC3=CC=CC(C=O)=C3)=C1[C@@H](C[C@]2(C)O)OC(C)=O

InChI Identifier

InChI=1S/C25H28O9/c1-15(27)32-20-12-24(3,29)25(30-4)9-8-23(2,34-25)11-19-21(20)18(22(28)33-19)14-31-17-7-5-6-16(10-17)13-26/h5-7,10-11,13,20,29H,8-9,12,14H2,1-4H3/b19-11+/t20-,23-,24+,25+/m1/s1

InChI Key

FSVDAXLTRBKUBC-VXVAUQSISA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenol ethers

Sub Class

Not Available

Direct Parent

Phenol ethers

Alternative Parents

Substituents

Phenoxy compound
Benzaldehyde
Benzoyl
Phenol ether
Alkyl aryl ether
Ketal
Aryl-aldehyde
Monocyclic benzene moiety
2-furanone
Dicarboxylic acid or derivatives
Alpha,beta-unsaturated carboxylic ester
Dihydrofuran
Enol ester
Enoate ester
Tertiary alcohol
Tetrahydrofuran
Carboxylic acid ester
Lactone
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Ether
Aldehyde
Alcohol
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	1.7	ChemAxon
pKa (Strongest Acidic)	13.05	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	117.59 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	121.41 m³·mol⁻¹	ChemAxon
Polarizability	47.72 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

163190224

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate (NP0236741)

MOL for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)

3D MOL for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)

3D SDF for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)

3D-SDF for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)

PDB for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)

3D PDB for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)

SMILES for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)

INCHI for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)

Structure for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)

3D Structure for NP0236741 ((1r,2e,8r,10s,11s)-6-(3-formylphenoxymethyl)-10-hydroxy-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate)