NP-MRD: Showing NP-Card for Indole-3-acetic-acid-O-glucuronide (NP0136302)

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Record Information

Version

1.0

Created at

2022-05-12 15:11:02 UTC

Updated at

2022-05-12 15:11:02 UTC

NP-MRD ID

NP0136302

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Indole-3-acetic-acid-O-glucuronide

Description

Indole-3-acetic-acid-O-glucuronide belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. It was first documented in 2012 (PMID: 22827565). Indole-3-acetic-acid-O-glucuronide is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.6096   -0.3668    1.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554    0.7772    0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8975    1.5728    0.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9653    1.0738    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925    1.6415   -1.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3785    0.9080   -1.6663 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -0.1325   -0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5396   -1.1523   -0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6282   -2.1340    0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397   -2.0366    1.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248   -1.0174    1.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7429   -0.0314    0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5318    1.2049    0.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6992    0.3927    0.2635 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0405    0.0024   -1.0475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0778   -0.9422   -0.8543 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2153   -1.8312   -2.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4480   -1.6785   -3.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1607   -2.8321   -2.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3660   -0.2832   -0.4592 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8974   -0.8023    0.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0331    1.1771   -0.1536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7533    1.8799   -1.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8386    1.2414    0.7748 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1245    0.9206    2.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7025    2.6541    0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193    1.6113    1.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9573    2.5344   -1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209    1.0664   -2.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2314   -1.2188   -1.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3353   -2.9419   -0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8128   -2.8185    1.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1726   -0.9781    2.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5881   -0.5452    0.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322   -1.5778   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7281   -2.9940   -1.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1299   -0.2860   -1.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4367   -0.0686    1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8926    1.5803    0.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495    2.5432   -1.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5492    2.3369    0.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6622    1.5501    2.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
 23 22  1  0
 22 24  1  0
 24 25  1  0
 24 14  1  0
 14 13  1  0
 13  2  1  0
  2  1  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7 12  2  0
 12 11  1  0
 11 10  2  0
 10  9  1  0
  9  8  2  0
 14 15  1  0
 15 16  1  0
 16 20  1  0
 20 21  1  0
 16 17  1  0
 17 19  1  0
 17 18  2  0
 20 22  1  0
 12  4  1  0
  8  7  1  0
 23 40  1  0
 22 39  1  1
 24 41  1  1
 25 42  1  0
 14 34  1  1
  3 26  1  0
  3 27  1  0
  5 28  1  0
  6 29  1  0
 11 33  1  0
 10 32  1  0
  9 31  1  0
  8 30  1  0
 16 35  1  1
 20 37  1  6
 21 38  1  0
 19 36  1  0
M  END


  Mrv1652304062013142D          

 25 27  0  0  0  0            999 V2000
   -1.4143    0.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1288   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1288   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143   -1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0848   -1.1389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5697   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0848    0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3398    0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1367    1.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3502    1.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200    0.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1471    2.2045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8616    3.4420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1471    3.0295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8616    1.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5760    2.2045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5760    3.0295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2905    1.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0050    2.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2905    0.9670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2905    3.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8616    4.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4326    3.4420    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  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 12  1  1  0  0  0
 16 14  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 16 25  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0136302

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@@H](O)[C@H](OC(=O)CC2=CNC3=C2C=CC=C3)O[C@@H]([C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H17NO8/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h1-4,6,11-14,16-17,19-21H,5H2,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1

> <INCHI_KEY>
BPTLUNCVRGWZSW-JHZZJYKESA-N

> <FORMULA>
C16H17NO8

> <MOLECULAR_WEIGHT>
351.3081

> <EXACT_MASS>
351.095416525

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
33.63202467388555

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(1H-indol-3-yl)acetyl]oxy}oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-0.11

> <JCHEM_LOGP>
-0.23803745699999987

> <ALOGPS_LOGS>
-1.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.212046230646518

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.388049170538595

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6868986995677924

> <JCHEM_POLAR_SURFACE_AREA>
149.31

> <JCHEM_REFRACTIVITY>
80.7507

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.26e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(1H-indol-3-yl)acetyl]oxy}oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0      -2.640   0.660   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.974  -0.110   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.974  -1.650   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.640  -2.420   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.306  -1.650   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.306  -0.110   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       0.158  -2.126   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       1.063  -0.880   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.158   0.366   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.634   1.830   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.122   2.229   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.520   3.717   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       3.211   1.140   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.008   4.115   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.342   6.425   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.008   5.655   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.342   3.345   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.675   4.115   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.675   5.655   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.009   3.345   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.343   4.115   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       8.009   1.805   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       8.009   6.425   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.342   7.965   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       2.674   6.425   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    7    6                                                  
CONECT    6    1    5    9                                                  
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    6    8   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11   14                                                       
CONECT   13   11                                                            
CONECT   14   12   16   17                                                  
CONECT   15   16   19   24                                                  
CONECT   16   14   15   25                                                  
CONECT   17   14   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18   15   23                                                  
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   19                                                            
CONECT   24   15                                                            
CONECT   25   16                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   54    0
END

View in JSmol

Synonyms

Value	Source
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{[2-(1H-indol-3-yl)acetyl]oxy}oxane-2-carboxylate	Generator

Chemical Formula

C₁₆H₁₇NO₈

Average Mass

351.3081 Da

Monoisotopic Mass

351.09542 Da

IUPAC Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(1H-indol-3-yl)acetyl]oxy}oxane-2-carboxylic acid

Traditional Name

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(1H-indol-3-yl)acetyl]oxy}oxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)CC2=CNC3=C2C=CC=C3)O[C@@H]([C@H]1O)C(O)=O

InChI Identifier

InChI=1S/C16H17NO8/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-13(21)11(19)12(20)14(25-16)15(22)23/h1-4,6,11-14,16-17,19-21H,5H2,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1

InChI Key

BPTLUNCVRGWZSW-JHZZJYKESA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
C-glucuronide
Glucuronic acid or derivatives
C-glycosyl compound
Glycosyl compound
Monocyclic monoterpenoid
Monoterpenoid
P-menthane monoterpenoid
Beta-hydroxy acid
Pyran
Oxane
Hydroxy acid
Secondary alcohol
Polyol
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Oxacycle
Carboxylic acid derivative
Ether
Dialkyl ether
Carboxylic acid
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Alcohol
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	-0.11	ALOGPS
logP	-0.24	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	3.39	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	149.31 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	80.75 m³·mol⁻¹	ChemAxon
Polarizability	33.63 Å³	ChemAxon
Number of Rings	3	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

HMDB0060001

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

124202110

PDB ID

Not Available

ChEBI ID

89622

Good Scents ID

Not Available

References

General References

van der Hooft JJ, de Vos RC, Mihaleva V, Bino RJ, Ridder L, de Roo N, Jacobs DM, van Duynhoven JP, Vervoort J: Structural elucidation and quantification of phenolic conjugates present in human urine after tea intake. Anal Chem. 2012 Aug 21;84(16):7263-71. doi: 10.1021/ac3017339. Epub 2012 Aug 2. [PubMed:22827565 ]

Showing NP-Card for Indole-3-acetic-acid-O-glucuronide (NP0136302)

MOL for NP0136302 (Indole-3-acetic-acid-O-glucuronide)

3D MOL for NP0136302 (Indole-3-acetic-acid-O-glucuronide)

3D SDF for NP0136302 (Indole-3-acetic-acid-O-glucuronide)

3D-SDF for NP0136302 (Indole-3-acetic-acid-O-glucuronide)

PDB for NP0136302 (Indole-3-acetic-acid-O-glucuronide)

3D PDB for NP0136302 (Indole-3-acetic-acid-O-glucuronide)

SMILES for NP0136302 (Indole-3-acetic-acid-O-glucuronide)

INCHI for NP0136302 (Indole-3-acetic-acid-O-glucuronide)

Structure for NP0136302 (Indole-3-acetic-acid-O-glucuronide)

3D Structure for NP0136302 (Indole-3-acetic-acid-O-glucuronide)