NP-MRD: Showing NP-Card for methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate (NP0297015)

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Record Information

Version

2.0

Created at

2022-09-10 06:58:18 UTC

Updated at

2022-09-10 06:58:18 UTC

NP-MRD ID

NP0297015

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate

Description

Methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]Tetradeca-2,5-diene-5-carboxylate belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate is found in Allamanda cathartica and Allamanda schottii. Methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]Tetradeca-2,5-diene-5-carboxylate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 41  0  0  0  0  0  0  0  0999 V2000
    6.4209    0.0591   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1110    0.5964    0.0800 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.0671   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968   -1.1811   -0.8758 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489    0.5087   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683    1.7130    0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3201    2.3433    0.8037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1974    1.7218    0.3850 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0420    1.7350    0.8096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5277    0.5597    0.0866 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8695    0.2942    0.7014 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9119   -0.0775   -0.3337 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2134   -0.3199    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483   -1.2677   -0.9937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6559   -0.8066    1.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5580   -1.5333    2.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804   -0.8838    1.8820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003   -0.5324    0.6337 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1685   -1.6386   -0.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -1.3801   -0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903   -0.0777   -0.4502 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5495    0.2577    0.7655 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0519    0.9166   -0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642   -0.3594    0.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3869   -0.7559   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4876    2.2153    0.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515    1.8387   -0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5100    0.7362   -0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2829    1.1454    1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0060    0.7473   -1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3396   -1.3925    0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0334    0.0346   -0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2134    0.3245    1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2543   -1.4116   -1.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708   -2.6249   -0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5510   -2.1496   -1.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0612    0.5333   -1.3723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    0.1789    1.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 11 15  1  0
 15 16  2  0
 15 17  1  0
 18 17  1  1
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21  5  1  0
 22  8  1  0
 18 10  1  0
 22 18  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  6 26  1  0
  8 27  1  6
 10 28  1  6
 11 29  1  1
 12 30  1  6
 13 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 19 35  1  0
 20 36  1  0
 21 37  1  6
 22 38  1  1
M  END


  Mrv1533004151518182D          

 22 25  0  0  0  0            999 V2000
   -0.8904   -1.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3264   -1.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4771   -1.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7165   -2.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411   -0.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8017   -0.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3657    0.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1691    0.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460    0.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5037    0.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286    0.2183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8266    0.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5059    1.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6452    0.7737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5680   -0.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3474   -0.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8911   -1.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4728   -1.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7959   -1.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8445   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   -0.5286    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  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
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 22  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0297015

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=COC2OC3C(C(C)O)C(=O)OC33C=CC1C23

> <INCHI_IDENTIFIER>
InChI=1S/C15H16O7/c1-6(16)9-11-15(22-13(9)18)4-3-7-8(12(17)19-2)5-20-14(21-11)10(7)15/h3-7,9-11,14,16H,1-2H3

> <INCHI_KEY>
RMYLCIMGXGYTTK-UHFFFAOYSA-N

> <FORMULA>
C15H16O7

> <MOLECULAR_WEIGHT>
308.286

> <EXACT_MASS>
308.089602855

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
29.86247484406264

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate

> <ALOGPS_LOGP>
0.69

> <JCHEM_LOGP>
0.137176969

> <ALOGPS_LOGS>
-1.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.929379443867237

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8296894312524454

> <JCHEM_POLAR_SURFACE_AREA>
91.29

> <JCHEM_REFRACTIVITY>
71.59309999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.40e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-APR-15         0                                  
HETATM    1  C   UNK     0      -1.662  -3.659   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -0.609  -2.535   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       0.891  -2.885   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.337  -4.358   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.943  -1.761   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.496  -0.287   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.549   0.837   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       4.049   0.487   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.312   1.368   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.540   0.438   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.080   0.408   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.010   1.635   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.411   3.054   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      10.538   1.444   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       8.527  -1.066   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.982  -1.571   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       7.263  -1.947   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.036  -1.017   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.483  -2.491   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.219  -3.371   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.443  -2.111   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.496  -0.987   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   21                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   22                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   18                                                  
CONECT   11   10   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   10   19   22                                             
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20    5   22                                                  
CONECT   22   21    8   18                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Value	Source
Methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0,.0,]tetradeca-2,5-diene-5-carboxylic acid	Generator

Chemical Formula

C₁₅H₁₆O₇

Average Mass

308.2860 Da

Monoisotopic Mass

308.08960 Da

IUPAC Name

methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate

Traditional Name

methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=COC2OC3C(C(C)O)C(=O)OC33C=CC1C23

InChI Identifier

InChI=1S/C15H16O7/c1-6(16)9-11-15(22-13(9)18)4-3-7-8(12(17)19-2)5-20-14(21-11)10(7)15/h3-7,9-11,14,16H,1-2H3

InChI Key

RMYLCIMGXGYTTK-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Allamanda cathartica	LOTUS Database	35616633
Allamanda neriifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Iridoid-skeleton
Monoterpenoid
Furopyran
Furofuran
Dicarboxylic acid or derivatives
Gamma butyrolactone
Monosaccharide
Pyran
Furan
Vinylogous ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
Tetrahydrofuran
Lactone
Secondary alcohol
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Acetal
Carboxylic acid derivative
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
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
logP	0.69	ALOGPS
logP	0.14	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	14.93	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	91.29 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	71.59 m³·mol⁻¹	ChemAxon
Polarizability	29.86 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	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

317838

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate (NP0297015)

MOL for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)

3D MOL for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)

3D SDF for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)

3D-SDF for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)

PDB for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)

3D PDB for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)

SMILES for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)

INCHI for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)

Structure for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)

3D Structure for NP0297015 (methyl 11-(1-hydroxyethyl)-12-oxo-7,9,13-trioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,¹⁴]tetradeca-2,5-diene-5-carboxylate)