NP-MRD: Showing NP-Card for 7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one (NP0215907)

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Record Information

Version

2.0

Created at

2022-09-05 15:40:59 UTC

Updated at

2022-09-05 15:40:59 UTC

NP-MRD ID

NP0215907

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one

Description

7,8-Dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-2-one belongs to the class of organic compounds known as pyranodioxins. These are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring. 7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one is found in Gunnera perpensa and Umbilicus rupestris. 7,8-Dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
    0.7807   -4.0052    0.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2277   -2.8689    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1416   -2.6994    0.3084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7652   -1.5370   -0.1444 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8469   -0.4455   -0.5747 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3984   -0.4651    0.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0589   -1.6774    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3743   -1.7968    0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2143   -0.6262    0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3734   -0.4523    0.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1719    0.6610    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8171    1.6580   -0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6069    2.7935   -0.3677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6668    1.4968   -0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703    0.3676   -0.8138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879    0.7818   -0.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8123    0.6291   -0.7673 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4832    1.9455   -1.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4285    2.7691    0.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5843   -0.0174    0.3828 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6858   -0.6657   -0.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031   -1.0725    0.9734 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9238   -0.6361    2.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4479   -1.8618   -0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6259   -0.5366   -1.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115   -2.7874    0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -1.2111    1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0904    0.7919    1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3801    3.5327   -1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3532    2.2603   -1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9757    0.2902   -1.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8469    0.0095   -1.6860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5431    1.7252   -1.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0180    2.4130   -1.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2878    3.2535    0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9334    0.7327    1.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4392   -1.0701   -1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2947   -1.9429    1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384    0.2641    1.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  7  2  1  0
  2  1  2  0
  2  3  1  0
  3  4  1  0
  4 22  1  0
 22 23  1  0
 22 20  1  0
 20 21  1  0
 20 17  1  0
  4  5  1  0
 15  9  1  0
 19 35  1  0
 18 33  1  0
 18 34  1  0
 17 32  1  6
  5 25  1  6
  8 26  1  0
 10 27  1  0
 11 28  1  0
 13 29  1  0
 14 30  1  0
 15 31  1  0
  4 24  1  6
 22 38  1  1
 23 39  1  0
 20 36  1  1
 21 37  1  0
M  END


  Mrv1533004231515292D          

 23 25  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    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
    0.0000   -1.6500    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  1  0  0  0  0
  4  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  4  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0215907

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC2OC(=CC3=CC=C(O)C=C3)C(=O)OC2C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H16O8/c16-6-10-11(18)12(19)13-15(22-10)21-9(14(20)23-13)5-7-1-3-8(17)4-2-7/h1-5,10-13,15-19H,6H2

> <INCHI_KEY>
SVRMKLADDRLSAP-UHFFFAOYSA-N

> <FORMULA>
C15H16O8

> <MOLECULAR_WEIGHT>
324.285

> <EXACT_MASS>
324.084517475

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
31.10531949817357

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-2-one

> <ALOGPS_LOGP>
-0.18

> <JCHEM_LOGP>
-0.08946704499999958

> <ALOGPS_LOGS>
-1.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.69493211826672

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.188723590875753

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810930170109096

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
75.9293

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4aH-pyrano[2,3-b][1,4]dioxin-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   19                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14    9                                                       
CONECT   16    7   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18    5   20                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20    3   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₁₆O₈

Average Mass

324.2850 Da

Monoisotopic Mass

324.08452 Da

IUPAC Name

7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-2-one

Traditional Name

7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4aH-pyrano[2,3-b][1,4]dioxin-2-one

CAS Registry Number

Not Available

SMILES

OCC1OC2OC(=CC3=CC=C(O)C=C3)C(=O)OC2C(O)C1O

InChI Identifier

InChI=1S/C15H16O8/c16-6-10-11(18)12(19)13-15(22-10)21-9(14(20)23-13)5-7-1-3-8(17)4-2-7/h1-5,10-13,15-19H,6H2

InChI Key

SVRMKLADDRLSAP-UHFFFAOYSA-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
Gunnera perpensa	LOTUS Database	35616633
Umbilicus rupestris	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyranodioxins. These are polycyclic compounds containing a pyranodioxin moiety, which consists of a pyran ring fused to a dioxin ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyranodioxins

Sub Class

Not Available

Direct Parent

Pyranodioxins

Alternative Parents

Substituents

Pyranodioxin
1-hydroxy-2-unsubstituted benzenoid
Phenol
Para-dioxane
Monocyclic benzene moiety
Monosaccharide
Oxane
Benzenoid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Lactone
Carboxylic acid ester
Secondary alcohol
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Primary alcohol
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	-0.18	ALOGPS
logP	-0.089	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	9.19	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.68 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	75.93 m³·mol⁻¹	ChemAxon
Polarizability	31.11 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

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HMDB ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one (NP0215907)

MOL for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)

3D MOL for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)

3D SDF for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)

3D-SDF for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)

PDB for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)

3D PDB for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)

SMILES for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)

INCHI for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)

Structure for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)

3D Structure for NP0215907 (7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-tetrahydro-4ah-pyrano[2,3-b][1,4]dioxin-2-one)