NP-MRD: Showing NP-Card for 4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione (NP0199255)

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Record Information

Version

2.0

Created at

2022-09-04 17:51:41 UTC

Updated at

2022-09-04 17:51:41 UTC

NP-MRD ID

NP0199255

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione

Description

4,5,9,10,11,19,21,24-Octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]Octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position. 4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione is found in Nymphaea lotus. 4,5,9,10,11,19,21,24-Octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]Octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171515432D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004171515432D          

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    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   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
    3.5724   -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
    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
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    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
    5.7158    0.8250    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
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -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
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 O   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
    4.2868    0.8250    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
  3  5  1  0  0  0  0
  5  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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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
 17 18  2  0  0  0  0
 12 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 19 31  1  0  0  0  0
 25 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
  5 41  1  0  0  0  0
 40 42  1  0  0  0  0
  2 42  1  0  0  0  0
 42 43  1  0  0  0  0
 38 44  2  0  0  0  0
 32 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0199255

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1C2COC(=O)CC(C3=CC=C(O)C=C3)C3=C(O)C=C(O)C4=C3OC(=C(O)C4=O)C3=CC(O)=C(O)C(OC(O2)C(O)C1O)=C3

> <INCHI_IDENTIFIER>
InChI=1S/C30H26O15/c31-12-3-1-10(2-4-12)13-7-19(35)42-9-18-23(37)25(39)27(41)30(44-18)43-17-6-11(5-16(34)22(17)36)28-26(40)24(38)21-15(33)8-14(32)20(13)29(21)45-28/h1-6,8,13,18,23,25,27,30-34,36-37,39-41H,7,9H2

> <INCHI_KEY>
GZTPVMNTZSEVRQ-UHFFFAOYSA-N

> <FORMULA>
C30H26O15

> <MOLECULAR_WEIGHT>
626.523

> <EXACT_MASS>
626.127170137

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
59.64960550105719

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18,20,22(26)-heptaene-15,23-dione

> <ALOGPS_LOGP>
2.09

> <JCHEM_LOGP>
1.4487118753333328

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.8396397972444465

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.180390485308267

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678966921473039

> <JCHEM_POLAR_SURFACE_AREA>
253.12999999999994

> <JCHEM_REFRACTIVITY>
150.02839999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18,20,22(26)-heptaene-15,23-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  O   UNK     0      17.338  -5.390   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      14.670  -6.930   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      12.003  -6.930   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.305  -6.534   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.781  -7.999   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.751  -9.144   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.244  -8.823   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.214  -9.968   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.768  -7.359   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.799  -6.214   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.763  -6.636   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.335  -0.000   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.003   2.310   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      14.670   2.310   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      13.337  -0.000   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      14.670  -0.770   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      17.338  -2.310   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   42                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   41                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   19                                                  
CONECT   12   11   13   18                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   12                                                       
CONECT   19   11   20   31                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   31                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   45                                                  
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30   19   25                                                  
CONECT   32   29   33   44                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   44                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40    5                                                       
CONECT   42   40    2   43                                                  
CONECT   43   42                                                            
CONECT   44   38   32                                                       
CONECT   45   28                                                            
MASTER        0    0    0    0    0    0    0    0   45    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₂₆O₁₅

Average Mass

626.5230 Da

Monoisotopic Mass

626.12717 Da

IUPAC Name

4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18,20,22(26)-heptaene-15,23-dione

Traditional Name

4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18,20,22(26)-heptaene-15,23-dione

CAS Registry Number

Not Available

SMILES

OC1C2COC(=O)CC(C3=CC=C(O)C=C3)C3=C(O)C=C(O)C4=C3OC(=C(O)C4=O)C3=CC(O)=C(O)C(OC(O2)C(O)C1O)=C3

InChI Identifier

InChI=1S/C30H26O15/c31-12-3-1-10(2-4-12)13-7-19(35)42-9-18-23(37)25(39)27(41)30(44-18)43-17-6-11(5-16(34)22(17)36)28-26(40)24(38)21-15(33)8-14(32)20(13)29(21)45-28/h1-6,8,13,18,23,25,27,30-34,36-37,39-41H,7,9H2

InChI Key

GZTPVMNTZSEVRQ-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
Nymphaea lotus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonols. Flavonols are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavonols

Alternative Parents

Substituents

3-hydroxyflavone
Macrolide
Chromone
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Benzenoid
Pyran
Monocyclic benzene moiety
Oxane
Monosaccharide
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Lactone
Carboxylic acid ester
Polyol
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Acetal
Carboxylic acid derivative
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxygen compound
Organic oxide
Organooxygen compound
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	2.09	ALOGPS
logP	1.45	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	6.18	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	253.13 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	150.03 m³·mol⁻¹	ChemAxon
Polarizability	59.65 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione (NP0199255)

MOL for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)

3D MOL for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)

3D SDF for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)

3D-SDF for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)

PDB for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)

3D PDB for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)

SMILES for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)

INCHI for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)

Structure for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)

3D Structure for NP0199255 (4,5,9,10,11,19,21,24-octahydroxy-17-(4-hydroxyphenyl)-7,14,25,27-tetraoxapentacyclo[16.6.2.1²,⁶.1⁸,¹².0²²,²⁶]octacosa-1(24),2,4,6(28),18(26),19,21-heptaene-15,23-dione)