NP-MRD: Showing NP-Card for (3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one (NP0324074)

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Record Information

Version

2.0

Created at

2022-09-12 03:54:42 UTC

Updated at

2022-09-12 03:54:42 UTC

NP-MRD ID

NP0324074

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one

Description

Isoobtusilactone A belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Isoobtusilactone A is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Isoobtusilactone A has been detected, but not quantified in, herbs and spices. (3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one is found in Cinnamomum kotoense, Cinnamomum tenuifolium and Lindera benzoin. This could make isoobtusilactone a a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 54 54  0  0  0  0  0  0  0  0999 V2000
    8.4470   -1.7047    0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5930   -0.8724   -0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6399    0.5125   -0.1144 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3446    1.0196   -0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9741    2.2038   -0.4762 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4531   -0.1319   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1605   -0.0832   -0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3819    1.0930    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3225    1.3912   -0.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3294    0.2732   -1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649   -0.0717    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    1.0695    0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9794    0.6751    1.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9509   -0.4402    1.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918   -0.0525    0.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9899   -1.1594    0.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9990   -0.7204   -0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7595    0.5132   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7303    0.8301   -1.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6397   -0.3533   -1.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3332   -1.2801   -0.7522 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5710   -1.2879   -2.1067 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3187   -1.3483    1.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2609   -2.7676    0.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250   -1.0327   -0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7972    0.8113    1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8644    2.0124    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8054    1.6198   -1.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7355    2.3003   -0.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    0.4663   -1.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379   -0.6376   -1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1447   -0.8900   -0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2438   -0.4662    0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115    1.4820   -0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4753    1.8949    0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4553    1.5695    2.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2118    0.3357    2.6838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4451   -0.6408    2.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -1.3382    1.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849    0.1633   -0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5433    0.8224    1.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5215   -2.0961    0.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5648   -1.3651    1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6904   -1.5377   -0.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4710   -0.4584   -1.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1001    1.3996   -0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2960    0.3943    0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3033    1.7347   -0.9790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1318    1.0483   -2.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4012   -0.9822   -2.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6422   -0.9795   -0.4767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6827    0.0288   -1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9549   -2.2379   -0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950   -0.7293   -2.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  2  0
  6 21  1  0
 21 22  1  0
 21  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
 20 50  1  0
 20 51  1  0
 20 52  1  0
 19 48  1  0
 19 49  1  0
 18 46  1  0
 18 47  1  0
 17 44  1  0
 17 45  1  0
 16 42  1  0
 16 43  1  0
 15 40  1  0
 15 41  1  0
 14 38  1  0
 14 39  1  0
 13 36  1  0
 13 37  1  0
 12 34  1  0
 12 35  1  0
 11 32  1  0
 11 33  1  0
 10 30  1  0
 10 31  1  0
  9 28  1  0
  9 29  1  0
  8 26  1  0
  8 27  1  0
  7 25  1  0
 21 53  1  1
 22 54  1  0
  1 23  1  0
  1 24  1  0
M  END


  Mrv0541 02241216332D          

 22 22  0  0  0  0            999 V2000
   -4.4916    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8447    1.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8447    0.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4916    0.2022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6827    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1163   -0.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3066    0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7402   -0.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4970   -1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6880   -1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3642   -1.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3642   -0.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9306   -1.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7395   -1.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350    0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5492    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7395    1.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350    1.7402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  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
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0324074

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCC\C=C1\C(O)C(=C)OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15-

> <INCHI_KEY>
FCLYKYQBTSMTJB-ICFOKQHNSA-N

> <FORMULA>
C19H32O3

> <MOLECULAR_WEIGHT>
308.4556

> <EXACT_MASS>
308.23514489

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
38.843180958986466

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one

> <ALOGPS_LOGP>
6.44

> <JCHEM_LOGP>
5.8568609380000005

> <ALOGPS_LOGS>
-5.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.12805058116303

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.86557383740255

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6642440151797535

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
91.54169999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.51e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -8.384   3.701   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.177   2.794   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.177   1.284   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -8.384   0.377   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.384   0.528   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.874   0.830   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.817  -0.226   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.306   0.075   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.248  -1.133   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.701  -2.492   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.794  -3.701   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.284  -3.399   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.680  -1.888   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.680  -1.585   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.737  -2.794   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.247  -2.492   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.701  -0.981   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.211  -0.679   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.665   0.830   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.759   2.039   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.247   2.039   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -5.665   3.248   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4   19                                                  
CONECT    4    3                                                            
CONECT    5    6                                                            
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19    3   18   20                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22    2   20                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
Borbonol	HMDB

Chemical Formula

C₁₉H₃₂O₃

Average Mass

308.4556 Da

Monoisotopic Mass

308.23514 Da

IUPAC Name

(3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one

Traditional Name

(3Z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCC\C=C1\C(O)C(=C)OC1=O

InChI Identifier

InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h15,18,20H,2-14H2,1H3/b17-15-

InChI Key

FCLYKYQBTSMTJB-ICFOKQHNSA-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
Cinnamomum kotoense	LOTUS Database	35616633
Cinnamomum tenuifolium	LOTUS Database	35616633
Lindera benzoin	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Tetrahydrofurans

Sub Class

Not Available

Direct Parent

Tetrahydrofurans

Alternative Parents

Substituents

Enol ester
Tetrahydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Lactone
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Oxacycle
Carbonyl group
Organooxygen compound
Organic oxygen compound
Alcohol
Organic oxide
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	6.44	ALOGPS
logP	5.86	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	12.87	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	46.53 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	91.54 m³·mol⁻¹	ChemAxon
Polarizability	38.84 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0030960

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB017731

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

10448019

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one (NP0324074)

MOL for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)

3D MOL for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)

3D SDF for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)

3D-SDF for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)

PDB for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)

3D PDB for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)

SMILES for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)

INCHI for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)

Structure for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)

3D Structure for NP0324074 ((3z)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one)