NP-MRD: Showing NP-Card for [(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate (NP0154110)

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Record Information

Version

2.0

Created at

2022-09-02 10:52:34 UTC

Updated at

2022-09-02 10:52:34 UTC

NP-MRD ID

NP0154110

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

Description

[(3S,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. [(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate is found in Myrsine seguinii. Based on a literature review very few articles have been published on [(3S,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022212522D          

 40 42  0  0  1  0            999 V2000
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 15 39  1  0  0  0  0
 39 40  1  6  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309022212522D          

 40 42  0  0  1  0            999 V2000
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    1.7613   -7.0706    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5817   -6.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -7.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8871   -7.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3721   -8.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0365   -8.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5214   -9.6541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2160   -9.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7311   -8.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4257   -7.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6052   -7.9105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2697   -8.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5508   -8.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203   -7.2431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7002   -7.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -6.4894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0291   -5.8220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -4.1974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1665   -3.9425    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
  3  4  1  1  0  0  0
  3  5  1  1  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 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
 15 14  1  6  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  6  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 24 30  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  6  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 21 37  1  0  0  0  0
 37 38  1  6  0  0  0
 19 39  1  0  0  0  0
 15 39  1  0  0  0  0
 39 40  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0154110

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(=C\CC[C@](C)(O)C=C)C(=O)OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC=C(O)C=C2)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H38O13/c1-4-26(3,34)11-5-6-15(2)23(33)36-13-27(35)14-37-25(22(27)32)40-21-20(31)19(30)18(12-28)39-24(21)38-17-9-7-16(29)8-10-17/h4,6-10,18-22,24-25,28-32,34-35H,1,5,11-14H2,2-3H3/b15-6-/t18-,19-,20+,21-,22-,24-,25+,26-,27-/m1/s1

> <INCHI_KEY>
UGWLQZKGUNBHIP-POWKQXBISA-N

> <FORMULA>
C27H38O13

> <MOLECULAR_WEIGHT>
570.588

> <EXACT_MASS>
570.231241284

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
57.52758733528442

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(3S,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

> <ALOGPS_LOGP>
0.44

> <JCHEM_LOGP>
0.5585375290000001

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.796998488358438

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.817606824970348

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2852987160796587

> <JCHEM_POLAR_SURFACE_AREA>
204.82999999999998

> <JCHEM_REFRACTIVITY>
137.26600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(3S,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -7.386   0.761   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.355  -0.384   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.849  -0.063   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.169   1.443   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.529  -1.570   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -3.343   0.257   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.312  -0.888   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.806  -0.567   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.225  -1.712   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.731  -1.392   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.251  -3.176   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.758  -3.497   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.779  -4.321   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.303  -5.786   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.364  -5.786   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.088  -7.835   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.564  -9.300   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.104  -9.300   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.009 -10.546   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.382 -11.953   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.288 -13.198   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.819 -13.037   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.724 -14.283   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.256 -14.122   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.161 -15.368   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.535 -16.775   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.440 -18.021   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       6.003 -16.936   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.098 -15.690   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       2.661 -14.605   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.130 -14.766   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.503 -16.173   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.028 -16.334   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       0.225 -13.520   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -1.307 -13.681   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       0.851 -12.114   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -0.054 -10.868   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       2.580  -7.835   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       4.044  -7.359   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17   39                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   39                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   37                                                  
CONECT   22   21   23   31                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   30                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   24                                                       
CONECT   31   22   32                                                       
CONECT   32   31   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   21   38                                                  
CONECT   38   37                                                            
CONECT   39   19   15   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

View in JSmol

Synonyms

Value	Source
[(3S,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoic acid	Generator

Chemical Formula

C₂₇H₃₈O₁₃

Average Mass

570.5880 Da

Monoisotopic Mass

570.23124 Da

IUPAC Name

[(3S,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

Traditional Name

[(3S,4S,5S)-5-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2Z,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

CAS Registry Number

Not Available

SMILES

C\C(=C\CC[C@](C)(O)C=C)C(=O)OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC=C(O)C=C2)[C@H]1O

InChI Identifier

InChI=1S/C27H38O13/c1-4-26(3,34)11-5-6-15(2)23(33)36-13-27(35)14-37-25(22(27)32)40-21-20(31)19(30)18(12-28)39-24(21)38-17-9-7-16(29)8-10-17/h4,6-10,18-22,24-25,28-32,34-35H,1,5,11-14H2,2-3H3/b15-6-/t18-,19-,20+,21-,22-,24-,25+,26-,27-/m1/s1

InChI Key

UGWLQZKGUNBHIP-POWKQXBISA-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
Myrsine seguinii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Disaccharide
O-glycosyl compound
Aromatic monoterpenoid
Monocyclic monoterpenoid
Monoterpenoid
4-alkoxyphenol
Phenoxy compound
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Benzenoid
Oxane
Fatty acyl
Monocyclic benzene moiety
Tetrahydrofuran
Tertiary alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Carboxylic acid ester
Organoheterocyclic compound
Acetal
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Carbonyl group
Hydrocarbon derivative
Organic oxide
Alcohol
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	0.44	ALOGPS
logP	0.56	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	9.82	ChemAxon
pKa (Strongest Basic)	-1.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	204.83 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	137.27 m³·mol⁻¹	ChemAxon
Polarizability	57.53 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

163193592

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate (NP0154110)

MOL for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)

3D MOL for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)

3D SDF for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)

3D-SDF for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)

PDB for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)

3D PDB for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)

SMILES for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)

INCHI for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)

Structure for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)

3D Structure for NP0154110 ([(3s,4s,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2z,6s)-6-hydroxy-2,6-dimethylocta-2,7-dienoate)