NP-MRD: Showing NP-Card for 5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol (NP0223550)

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Record Information

Version

2.0

Created at

2022-09-06 01:40:44 UTC

Updated at

2022-09-06 01:40:44 UTC

NP-MRD ID

NP0223550

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol

Description

Melilotocarpan E belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Thus, melilotocarpan e is considered to be a flavonoid lipid molecule. Melilotocarpan E is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Melilotocarpan E has been detected, but not quantified in, herbs and spices and pulses. 5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol is found in Melilotus albus. This could make melilotocarpan e a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 42  0  0  0  0  0  0  0  0999 V2000
    4.8424   -2.5049    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5245   -1.1314    0.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3726   -0.5845   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559   -1.3702   -0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.8318   -1.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447    0.5107   -1.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524    1.3107   -0.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1221    0.7576    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0234    1.5638    0.7435 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509    2.6599   -0.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015    3.0152   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7142    2.2027   -0.7334 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5581    1.3793    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0590    1.5742    1.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8270    0.5884    2.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1102   -0.5927    1.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8986   -1.5367    2.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6133   -0.8022    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8985   -1.9863   -0.5795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0693   -2.0284   -1.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8422    0.2051   -0.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2427    0.1969   -1.7477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630    1.1549   -1.6572 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9471   -2.6715    0.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5329   -2.9506   -0.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514   -3.0303    1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782   -2.4346   -0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5784   -1.4800   -1.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8892    2.5646    0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871    4.1105   -0.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471    2.9248    1.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4453    2.8785   -1.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170    2.5036    1.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2043    0.7786    3.0256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0936   -2.3930    1.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0676   -2.8921   -2.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9466   -2.0814   -0.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1814   -1.1226   -2.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586    1.5450   -2.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  8  2  0
  8  9  1  0
  8  7  1  0
  7  6  2  0
  6  5  1  0
  5  4  2  0
  6 23  1  0
 23 22  1  0
 22 21  1  0
 21 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
  4  3  1  0
 12 23  1  0
 10  7  1  0
 18 21  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  9 29  1  0
  5 28  1  0
  4 27  1  0
 23 39  1  6
 14 33  1  0
 15 34  1  0
 17 35  1  0
 20 36  1  0
 20 37  1  0
 20 38  1  0
 12 32  1  6
 11 30  1  0
 11 31  1  0
M  END


  Mrv0541 05061307172D          

 23 26  0  0  0  0            999 V2000
    6.8689   -1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8372   -4.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4796   -2.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275   -1.5272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3033   -2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1217   -0.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9548   -1.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270   -2.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7507   -1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4883   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6743   -1.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2216   -1.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2033   -2.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980   -1.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9156   -2.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1823   -2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2450   -2.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5926   -0.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4979   -1.8789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431   -3.6213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453   -0.5937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6872   -2.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 15 13  1  0  0  0  0
 16  8  2  0  0  0  0
 17 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20  1  1  0  0  0  0
 20 12  1  0  0  0  0
 21  2  1  0  0  0  0
 21 17  1  0  0  0  0
 22  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 14  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0223550

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C2=C(C=C1)C1OC3=C(C=CC(O)=C3OC)C1CO2

> <INCHI_IDENTIFIER>
InChI=1S/C17H16O6/c1-20-12-6-4-9-14-10(7-22-15(9)13(12)19)8-3-5-11(18)17(21-2)16(8)23-14/h3-6,10,14,18-19H,7H2,1-2H3

> <INCHI_KEY>
AHWUIMDBTDTTRI-UHFFFAOYSA-N

> <FORMULA>
C17H16O6

> <MOLECULAR_WEIGHT>
316.3053

> <EXACT_MASS>
316.094688244

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
31.791664772875663

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-6,14-diol

> <ALOGPS_LOGP>
2.52

> <JCHEM_LOGP>
2.047986809

> <ALOGPS_LOGS>
-3.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.1396849039631

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.13584321244658

> <JCHEM_PKA_STRONGEST_BASIC>
-4.340787967668605

> <JCHEM_POLAR_SURFACE_AREA>
77.38000000000001

> <JCHEM_REFRACTIVITY>
81.50520000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.52e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
melilotocarpan E

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      12.822  -2.132   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.429  -7.592   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.353  -2.145   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.362  -5.059   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.985  -2.851   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.899  -4.971   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.827  -1.196   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.649  -2.978   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.517  -3.771   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.135  -2.572   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.911  -4.389   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.592  -3.595   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.747  -2.308   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.979  -3.859   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.210  -2.396   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.576  -4.516   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.207  -5.221   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.457  -5.095   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      10.440  -0.932   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      12.129  -3.507   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       2.134  -6.760   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       7.365  -1.108   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.016  -5.061   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   21                                                            
CONECT    3    5    8                                                       
CONECT    4    6    9                                                       
CONECT    5    3   11                                                       
CONECT    6    4   12                                                       
CONECT    7   10   22                                                       
CONECT    8    3   10   16                                                  
CONECT    9    4   14   15                                                  
CONECT   10    7    8   14                                                  
CONECT   11    5   17   18                                                  
CONECT   12    6   13   20                                                  
CONECT   13   12   15   19                                                  
CONECT   14    9   10   23                                                  
CONECT   15    9   13   22                                                  
CONECT   16    8   17   23                                                  
CONECT   17   11   16   21                                                  
CONECT   18   11                                                            
CONECT   19   13                                                            
CONECT   20    1   12                                                       
CONECT   21    2   17                                                       
CONECT   22    7   15                                                       
CONECT   23   14   16                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
4,9-Dihydroxy-3,10-dimethoxypterocarpan	HMDB

Chemical Formula

C₁₇H₁₆O₆

Average Mass

316.3053 Da

Monoisotopic Mass

316.09469 Da

IUPAC Name

5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-6,14-diol

Traditional Name

melilotocarpan E

CAS Registry Number

Not Available

SMILES

COC1=C(O)C2=C(C=C1)C1OC3=C(C=CC(O)=C3OC)C1CO2

InChI Identifier

InChI=1S/C17H16O6/c1-20-12-6-4-9-14-10(7-22-15(9)13(12)19)8-3-5-11(18)17(21-2)16(8)23-14/h3-6,10,14,18-19H,7H2,1-2H3

InChI Key

AHWUIMDBTDTTRI-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
Melilotus albus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Furanoisoflavonoids

Direct Parent

Pterocarpans

Alternative Parents

Substituents

Isoflavanol
Pterocarpan
Isoflavan
Chromane
Benzopyran
1-benzopyran
Benzofuran
Coumaran
Anisole
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Organoheterocyclic compound
Ether
Oxacycle
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Pterocarpans (LMPK12070085 )

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	2.52	ALOGPS
logP	2.05	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	9.14	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	77.38 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	81.51 m³·mol⁻¹	ChemAxon
Polarizability	31.79 Å³	ChemAxon
Number of Rings	4	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

HMDB0033683

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB011786

KNApSAcK ID

C00009999

Chemspider ID

24843020

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44257462

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol (NP0223550)

MOL for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)

3D MOL for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)

3D SDF for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)

3D-SDF for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)

PDB for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)

3D PDB for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)

SMILES for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)

INCHI for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)

Structure for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)

3D Structure for NP0223550 (5,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-6,14-diol)