NP-MRD: Showing NP-Card for 3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione (NP0280484)

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Record Information

Version

2.0

Created at

2022-09-09 06:18:11 UTC

Updated at

2022-09-09 06:18:12 UTC

NP-MRD ID

NP0280484

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione

Description

3,4,8,12,14,17,18,26,28-Nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]Dotriaconta-1(28),2(7),3,5,10,12,14,16(21),17,19,22,25(29),26-tridecaene-24,31-dione belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety. 3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione is found in Bartramia pomiformis. Based on a literature review very few articles have been published on 3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]Dotriaconta-1(28),2(7),3,5,10,12,14,16(21),17,19,22,25(29),26-tridecaene-24,31-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092208182D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309092208182D          

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    4.1408   -2.6984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105   -2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545   -3.3339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 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
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
 23 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  2  0  0  0  0
  4 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 36 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0280484

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC(O)=C2C3=C1C(=O)CC(O)(O3)C1=C(C(O)=C(O)C=C1)C1=C3OC(=CC(=O)C3=C(O)C=C1O)C1=C2C(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H18O13/c31-11-3-1-9-19-7-17(37)22-13(33)5-16(36)25(28(22)42-19)21-10(2-4-12(32)27(21)40)30(41)8-18(38)23-14(34)6-15(35)24(29(23)43-30)20(9)26(11)39/h1-7,31-36,39-41H,8H2

> <INCHI_KEY>
XQTQGEORWSFOOC-UHFFFAOYSA-N

> <FORMULA>
C30H18O13

> <MOLECULAR_WEIGHT>
586.461

> <EXACT_MASS>
586.07474064

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
54.55958481133954

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2^{8,11}.0^{2,7}.0^{10,15}.0^{16,21}.0^{25,29}]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione

> <JCHEM_LOGP>
4.092941591

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.878288444309251

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.73053125384458

> <JCHEM_PKA_STRONGEST_BASIC>
-5.463819808305488

> <JCHEM_POLAR_SURFACE_AREA>
234.66999999999996

> <JCHEM_REFRACTIVITY>
147.78919999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2^{8,11}.0^{2,7}.0^{10,15}.0^{16,21}.0^{25,29}]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  O   UNK     0       5.559   2.699   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       5.850   1.187   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.686   0.179   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.977  -1.334   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.459  -1.078   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       6.433  -1.838   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.597  -0.830   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.306   0.683   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.470   1.691   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.179   3.203   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.925   1.187   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.216  -0.326   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      11.671  -0.830   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.052  -1.334   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.955  -2.667   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.955  -4.207   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.288  -4.977   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.622  -4.207   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.622  -2.667   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      13.956  -1.897   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      11.288  -1.897   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      12.194  -0.651   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       9.185  -5.541   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.476  -7.053   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.312  -8.061   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.603  -9.574   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.856  -7.557   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.692  -8.566   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       5.983 -10.078   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.237  -8.061   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.946  -6.549   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.491  -6.045   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       5.110  -5.541   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.565  -6.045   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       7.730  -5.037   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       4.207  -4.207   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.207  -2.667   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.874  -1.897   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.540  -2.667   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.540  -4.207   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       0.206  -4.977   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       2.874  -4.977   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       1.968  -6.223   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6   37                                             
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   14                                                  
CONECT    8    7    2    9                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12    7   15                                                  
CONECT   15   14   16   21                                                  
CONECT   16   15   17   23                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   15   22                                                  
CONECT   22   21                                                            
CONECT   23   16   24   35                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   34                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   36                                                  
CONECT   34   33   27   35                                                  
CONECT   35   34   23                                                       
CONECT   36   33   37   42                                                  
CONECT   37   36    4   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   36   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₁₈O₁₃

Average Mass

586.4610 Da

Monoisotopic Mass

586.07474 Da

IUPAC Name

3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2^{8,11}.0^{2,7}.0^{10,15}.0^{16,21}.0^{25,29}]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione

Traditional Name

3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2^{8,11}.0^{2,7}.0^{10,15}.0^{16,21}.0^{25,29}]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione

CAS Registry Number

Not Available

SMILES

OC1=CC(O)=C2C3=C1C(=O)CC(O)(O3)C1=C(C(O)=C(O)C=C1)C1=C3OC(=CC(=O)C3=C(O)C=C1O)C1=C2C(O)=C(O)C=C1

InChI Identifier

InChI=1S/C30H18O13/c31-11-3-1-9-19-7-17(37)22-13(33)5-16(36)25(28(22)42-19)21-10(2-4-12(32)27(21)40)30(41)8-18(38)23-14(34)6-15(35)24(29(23)43-30)20(9)26(11)39/h1-7,31-36,39-41H,8H2

InChI Key

XQTQGEORWSFOOC-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
Bartramia pomiformis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as chromones. Chromones are compounds containing a benzopyran-4-one moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Chromones

Alternative Parents

Substituents

Chromone
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous acid
Hemiacetal
Ketone
Oxacycle
Polyol
Aldehyde
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen 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	4.09	ChemAxon
pKa (Strongest Acidic)	5.73	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	234.67 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	147.79 m³·mol⁻¹	ChemAxon
Polarizability	54.56 Å³	ChemAxon
Number of Rings	7	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

4729891

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5872580

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione (NP0280484)

MOL for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)

3D MOL for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)

3D SDF for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)

3D-SDF for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)

PDB for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)

3D PDB for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)

SMILES for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)

INCHI for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)

Structure for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)

3D Structure for NP0280484 (3,4,8,12,14,17,18,26,28-nonahydroxy-9,30-dioxaheptacyclo[20.6.2.2⁸,¹¹.0²,⁷.0¹⁰,¹⁵.0¹⁶,²¹.0²⁵,²⁹]dotriaconta-1(29),2(7),3,5,10,12,14,16(21),17,19,22,25,27-tridecaene-24,31-dione)