NP-MRD: Showing NP-Card for 3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid (NP0200754)

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Record Information

Version

2.0

Created at

2022-09-04 19:39:49 UTC

Updated at

2022-09-04 19:39:49 UTC

NP-MRD ID

NP0200754

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid

Description

3-Oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]Icosa-1(20),2,4(8),9,13(18),14,16-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid belongs to the class of organic compounds known as isoflavonoids. These are natural products derived from 3-phenylchromen-4-one. 3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid is found in Maackia amurensis. Based on a literature review very few articles have been published on 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]Icosa-1(20),2,4(8),9,13(18),14,16-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042221392D          

 38 43  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309042221392D          

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 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  6  0  0  0
 21 29  1  0  0  0  0
 16 29  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 24 32  1  0  0  0  0
 11 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
  9 37  1  0  0  0  0
 37 38  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0200754

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC=C3[C@H]4OC5=CC6=C(OCO6)C=C5C4=COC3=C2)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C25H22O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,7,18,21-25,29-31H,6,8-9H2,(H,26,27)/t18-,21-,22+,23-,24-,25-/m1/s1

> <INCHI_KEY>
LCMZSNMRKCDXRR-UJDYKWCVSA-N

> <FORMULA>
C25H22O13

> <MOLECULAR_WEIGHT>
530.438

> <EXACT_MASS>
530.106040768

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
50.012325981424205

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid

> <JCHEM_LOGP>
0.49886544933333343

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.20170734354358

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3977351760529872

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6491030253773076

> <JCHEM_POLAR_SURFACE_AREA>
179.67

> <JCHEM_REFRACTIVITY>
119.8531

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  O   UNK     0      -9.084 -10.993   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -8.223  -9.716   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -8.898  -8.332   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -6.687  -9.823   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.826  -8.546   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -6.501  -7.162   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -4.290  -8.653   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -3.429  -7.377   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.892  -7.484   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.032  -6.207   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.505  -6.314   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.366  -5.037   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.902  -5.144   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.577  -6.528   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.114  -6.635   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.974  -5.358   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.299  -3.974   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.763  -3.867   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.160  -2.697   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       7.696  -2.804   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.372  -4.188   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.852  -4.612   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.158  -3.796   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.518  -4.519   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.572  -6.058   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.266  -6.874   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.906  -6.151   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.459  -6.679   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       7.511  -5.465   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      14.052  -6.482   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      14.913  -5.205   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      13.965  -3.992   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       1.180  -7.698   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.716  -7.805   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       0.319  -8.975   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       0.995 -10.359   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -1.217  -8.868   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -2.078 -10.145   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   37                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   33                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   29                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17   13                                                       
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   29                                                  
CONECT   22   21   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   32                                                  
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   22   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   21   16                                                  
CONECT   30   25   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   24                                                       
CONECT   33   11   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35    9   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Value	Source
3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.0,.0,.0,]icosa-1(20),2,4(8),9,13(18),14,16-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoate	Generator

Chemical Formula

C₂₅H₂₂O₁₃

Average Mass

530.4380 Da

Monoisotopic Mass

530.10604 Da

IUPAC Name

3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid

Traditional Name

3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(12S)-5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC=C3[C@H]4OC5=CC6=C(OCO6)C=C5C4=COC3=C2)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C25H22O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,7,18,21-25,29-31H,6,8-9H2,(H,26,27)/t18-,21-,22+,23-,24-,25-/m1/s1

InChI Key

LCMZSNMRKCDXRR-UJDYKWCVSA-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
Maackia amurensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavonoids. These are natural products derived from 3-phenylchromen-4-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Not Available

Direct Parent

Isoflavonoids

Alternative Parents

Substituents

Isoflavonoid
Phenolic glycoside
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Benzodioxole
Coumaran
Alkyl aryl ether
Dicarboxylic acid or derivatives
Monosaccharide
Benzenoid
Oxane
1,3-dicarbonyl compound
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Ether
Acetal
Carboxylic acid
Carboxylic acid derivative
Polyol
Organic oxygen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Organic oxide
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	0.5	ChemAxon
pKa (Strongest Acidic)	3.4	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	179.67 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	119.85 m³·mol⁻¹	ChemAxon
Polarizability	50.01 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	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

163188204

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid (NP0200754)

MOL for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)

3D MOL for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)

3D SDF for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)

3D-SDF for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)

PDB for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)

3D PDB for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)

SMILES for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)

INCHI for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)

Structure for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)

3D Structure for NP0200754 (3-oxo-3-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(12s)-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(20),2,4(8),9,13,15,17-heptaen-16-yloxy]oxan-2-yl]methoxy}propanoic acid)