NP-MRD: Showing NP-Card for (3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one (NP0065778)

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Record Information

Version

2.0

Created at

2022-04-28 09:58:26 UTC

Updated at

2022-04-28 09:58:26 UTC

NP-MRD ID

NP0065778

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one

Description

(6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethyl-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-one belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. (3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one is found in Agrobacterium aurantiacum. Based on a literature review very few articles have been published on (6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethyl-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282211582D          

 54 56  0  0  1  0            999 V2000
    7.8592  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  1  0  0  0
 11 10  1  1  0  0  0
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 14 19  1  6  0  0  0
 13 20  1  1  0  0  0
 12 21  1  6  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
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 40 41  1  0  0  0  0
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 46 48  1  0  0  0  0
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 42 50  1  0  0  0  0
 38 51  1  0  0  0  0
 34 52  1  0  0  0  0
 29 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END

     RDKit          3D

118120  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652304282211582D          

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  1  2  2  0  0  0  0
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M  END
> <DATABASE_ID>
NP0065778

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@H](CC1(C)C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C46H64O8/c1-29(17-13-19-31(3)21-23-36-33(5)25-35(48)26-45(36,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)40(49)38(27-46(37,9)10)53-44-43(52)42(51)41(50)39(28-47)54-44/h11-24,35,38-39,41-44,47-48,50-52H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,38+,39+,41-,42+,43-,44-/m1/s1

> <INCHI_KEY>
LOISLDIJCYHBBP-IENDHXMDSA-N

> <FORMULA>
C46H64O8

> <MOLECULAR_WEIGHT>
745.01

> <EXACT_MASS>
744.460119021

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
118

> <JCHEM_AVERAGE_POLARIZABILITY>
89.23510961677573

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethyl-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-one

> <ALOGPS_LOGP>
6.53

> <JCHEM_LOGP>
6.428177645333331

> <ALOGPS_LOGS>
-5.80

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.199841606959868

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.20992385538782

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0893460061653792

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
227.8800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.19e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6S)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethyl-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      14.670 -23.870   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.670 -25.410   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.337 -26.180   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      13.337 -27.720   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      12.003 -25.410   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.003 -23.870   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.337 -23.100   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.614 -21.740   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.060 -21.740   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      10.669 -26.180   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.336 -25.410   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002 -26.180   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668 -25.410   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668 -23.870   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002 -23.100   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.336 -23.870   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.002 -21.560   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.668 -20.790   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.335 -23.100   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       5.335 -26.180   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       8.002 -27.720   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      16.004 -26.180   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.004 -23.100   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.004 -21.560   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      17.338 -20.790   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      17.338 -19.250   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      18.672 -18.480   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      18.672 -16.940   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.005 -16.170   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      21.339 -12.320   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      22.673 -11.550   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      22.673 -10.010   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      24.006  -9.240   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      24.006  -7.700   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      25.340  -6.930   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      25.340  -5.390   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      26.674  -4.620   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      26.674  -3.080   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      28.007  -2.310   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      28.007  -0.770   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      29.341   0.000   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      30.675  -0.770   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      30.675  -2.310   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      29.341  -3.080   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      30.064  -4.440   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      28.618  -4.440   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      32.008   0.000   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      26.674   0.000   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      24.006  -4.620   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      21.339  -9.240   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      21.339 -16.940   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      18.672 -21.560   0.000  0.00  0.00           C+0
CONECT    1    2    7   23                                                  
CONECT    2    1    3   22                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    1    8    9                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5   11                                                       
CONECT   11   10   12   16                                                  
CONECT   12   11   13   21                                                  
CONECT   13   12   14   20                                                  
CONECT   14   13   15   19                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15   11                                                       
CONECT   17   15   18                                                       
CONECT   18   17                                                            
CONECT   19   14                                                            
CONECT   20   13                                                            
CONECT   21   12                                                            
CONECT   22    2                                                            
CONECT   23    1   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   54                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   53                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   52                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   51                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   46                                                  
CONECT   42   41   43   50                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   49                                                  
CONECT   45   44   46                                                       
CONECT   46   45   41   47   48                                             
CONECT   47   46                                                            
CONECT   48   46                                                            
CONECT   49   44                                                            
CONECT   50   42                                                            
CONECT   51   38                                                            
CONECT   52   34                                                            
CONECT   53   29                                                            
CONECT   54   25                                                            
MASTER        0    0    0    0    0    0    0    0   54    0  112    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₆H₆₄O₈

Average Mass

745.0100 Da

Monoisotopic Mass

744.46012 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@H](CC1(C)C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C46H64O8/c1-29(17-13-19-31(3)21-23-36-33(5)25-35(48)26-45(36,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)40(49)38(27-46(37,9)10)53-44-43(52)42(51)41(50)39(28-47)54-44/h11-24,35,38-39,41-44,47-48,50-52H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,38+,39+,41-,42+,43-,44-/m1/s1

InChI Key

LOISLDIJCYHBBP-IENDHXMDSA-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

Species Name	Source	Reference
Agrobacterium aurantiacum	Bacteria	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Xanthophylls

Alternative Parents

Substituents

Xanthophyll
Terpene glycoside
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Cyclohexenone
Oxane
Monosaccharide
Cyclic ketone
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
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	6.53	ALOGPS
logP	6.43	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	-1.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	136.68 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	227.88 m³·mol⁻¹	ChemAxon
Polarizability	89.24 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

163023328

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one (NP0065778)

MOL for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)

3D MOL for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)

3D SDF for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)

3D-SDF for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)

PDB for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)

3D PDB for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)

SMILES for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)

INCHI for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)

Structure for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)

3D Structure for NP0065778 ((3S,3'R)-3-(beta-D-Glucopyranosyloxy)-3'-hydroxy-beta,beta-caroten-4-one)