NP-MRD: Showing NP-Card for (5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid (NP0222215)

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Record Information

Version

2.0

Created at

2022-09-06 00:00:00 UTC

Updated at

2022-09-06 00:00:00 UTC

NP-MRD ID

NP0222215

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid

Description

(5-{[4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxo-2,5-dihydrofuran-3-yl)oxidanesulfonic acid belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid (5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxo-2,5-dihydrofuran-3-yl)oxidanesulfonic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004161516372D          

 35 37  0  0  0  0            999 V2000
    2.6255   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0735   -0.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174    0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1347    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203    1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273    1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1822    2.5141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    1.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5412    2.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3482    2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6031    3.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9002    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011   -4.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9063   -3.5926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4882   -4.6818    0.0000 O   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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 12 18  2  0  0  0  0
  7 18  1  0  0  0  0
  5 19  1  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
 22 23  2  0  0  0  0
  5 23  1  0  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  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
M  END


  Mrv1533004161516372D          

 35 37  0  0  0  0            999 V2000
    2.6255   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0735   -0.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174    0.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1347    0.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203    1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9273    1.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1822    2.5141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4793    1.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5412    2.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3482    2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6031    3.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9002    1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -1.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3507   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353   -1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3068   -0.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6937   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -3.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -3.9282    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011   -4.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9063   -3.5926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4882   -4.6818    0.0000 O   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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 12 18  2  0  0  0  0
  7 18  1  0  0  0  0
  5 19  1  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
 22 23  2  0  0  0  0
  5 23  1  0  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  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0222215

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1(CC2=CC=C(O)C(CC=C(C)C)=C2)OC(=O)C(OS(O)(=O)=O)=C1C1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H24O10S/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(28)32-3)20(16-7-9-18(25)10-8-16)21(22(27)33-24)34-35(29,30)31/h4-5,7-12,25-26H,6,13H2,1-3H3,(H,29,30,31)

> <INCHI_KEY>
QRQVCSIFYBTLJW-UHFFFAOYSA-N

> <FORMULA>
C24H24O10S

> <MOLECULAR_WEIGHT>
504.51

> <EXACT_MASS>
504.109018147

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
48.388913812305475

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxo-2,5-dihydrofuran-3-yl)oxidanesulfonic acid

> <ALOGPS_LOGP>
1.61

> <JCHEM_LOGP>
4.104905400333333

> <ALOGPS_LOGS>
-4.77

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.82403853423927

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.9883258979576741

> <JCHEM_PKA_STRONGEST_BASIC>
-5.991955480774437

> <JCHEM_POLAR_SURFACE_AREA>
156.66

> <JCHEM_REFRACTIVITY>
125.71949999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.52e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0       4.901  -0.341   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.870  -1.486   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.364  -1.166   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.840   0.299   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.303  -1.166   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.779   0.299   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.251   1.444   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.225   2.908   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.731   3.228   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.207   4.693   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.761   2.084   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.268   2.404   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.744   3.869   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.250   4.189   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.726   5.654   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.280   3.044   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.285   0.619   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.580  -3.215   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.104  -4.680   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       3.009  -5.926   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.564  -4.680   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.088  -3.215   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.377  -2.739   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.521  -3.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -3.986  -3.294   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.306  -1.788   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -5.771  -1.312   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -3.162  -0.757   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.697  -1.233   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -0.342  -5.926   0.000  0.00  0.00           O+0
HETATM   32  S   UNK     0       0.285  -7.333   0.000  0.00  0.00           S+0
HETATM   33  O   UNK     0      -1.122  -7.959   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       1.692  -6.706   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.911  -8.739   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   19   23                                             
CONECT    6    5    7                                                       
CONECT    7    6    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   12    7                                                       
CONECT   19    5   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   31                                                  
CONECT   23   22    5   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   34   35                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Value	Source
(5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxo-2,5-dihydrofuran-3-yl)oxidanesulfonate	Generator
(5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxo-2,5-dihydrofuran-3-yl)oxidanesulphonate	Generator
(5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxo-2,5-dihydrofuran-3-yl)oxidanesulphonic acid	Generator

Chemical Formula

C₂₄H₂₄O₁₀S

Average Mass

504.5100 Da

Monoisotopic Mass

504.10902 Da

IUPAC Name

(5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxo-2,5-dihydrofuran-3-yl)oxidanesulfonic acid

Traditional Name

(5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid

CAS Registry Number

Not Available

SMILES

COC(=O)C1(CC2=CC=C(O)C(CC=C(C)C)=C2)OC(=O)C(OS(O)(=O)=O)=C1C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C24H24O10S/c1-14(2)4-6-17-12-15(5-11-19(17)26)13-24(23(28)32-3)20(16-7-9-18(25)10-8-16)21(22(27)33-24)34-35(29,30)31/h4-5,7-12,25-26H,6,13H2,1-3H3,(H,29,30,31)

InChI Key

QRQVCSIFYBTLJW-UHFFFAOYSA-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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acid esters

Direct Parent

Fatty acid esters

Alternative Parents

Substituents

1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Monocyclic benzene moiety
2-furanone
Dicarboxylic acid or derivatives
Sulfuric acid monoester
Sulfate-ester
Sulfuric acid ester
Benzenoid
Methyl ester
Organic sulfuric acid or derivatives
Dihydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Lactone
Carboxylic acid ester
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Carbonyl group
Organic oxide
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
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	1.61	ALOGPS
logP	4.1	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	-2	ChemAxon
pKa (Strongest Basic)	-6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	156.66 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	125.72 m³·mol⁻¹	ChemAxon
Polarizability	48.39 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	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

56657570

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid (NP0222215)

MOL for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)

3D MOL for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)

3D SDF for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)

3D-SDF for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)

PDB for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)

3D PDB for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)

SMILES for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)

INCHI for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)

Structure for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)

3D Structure for NP0222215 ((5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methyl}-4-(4-hydroxyphenyl)-5-(methoxycarbonyl)-2-oxofuran-3-yl)oxidanesulfonic acid)