NP-MRD: Showing NP-Card for (3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate (NP0147585)

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Record Information

Version

2.0

Created at

2022-09-02 03:13:08 UTC

Updated at

2022-09-02 03:13:08 UTC

NP-MRD ID

NP0147585

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

Description

Papulacandins belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. (3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate is found in Arthrinium phaeospermum. (3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate was first documented in 2011 (PMID: 21115488). Based on a literature review a small amount of articles have been published on Papulacandins (PMID: 31428061) (PMID: 23015820).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022205132D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309022205132D          

 41 43  0  0  1  0            999 V2000
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   18.6514    8.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3659    7.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0804    8.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0804    9.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7949    7.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5093    8.2943    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.5093    9.1193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.7949    9.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2238    9.5318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.2238   10.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9383   10.7693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9383    9.1193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9383    8.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6919    8.6298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2440    8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8315    7.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0864    6.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5344    5.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7893    5.1199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7274    6.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4725    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6655    7.0322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0245    7.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2238    7.8818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5564    7.3969    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 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  2  0  0  0  0
 19 21  1  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 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
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 32 39  1  0  0  0  0
 29 39  1  0  0  0  0
 29 40  1  0  0  0  0
 22 40  1  0  0  0  0
 40 41  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0147585

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)CC\C=C\C=C(/C)C(O)C\C=C\C=C\C(=O)O[C@H]1[C@H](O)[C@@H](CO)OC2(OCC3=CC(O)=CC(O)=C23)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C31H42O10/c1-4-19(2)11-7-5-8-12-20(3)23(34)13-9-6-10-14-26(36)40-29-28(37)25(17-32)41-31(30(29)38)27-21(18-39-31)15-22(33)16-24(27)35/h5-6,8-10,12,14-16,19,23,25,28-30,32-35,37-38H,4,7,11,13,17-18H2,1-3H3/b8-5+,9-6+,14-10+,20-12+/t19?,23?,25-,28-,29+,30-,31?/m1/s1

> <INCHI_KEY>
XKSZJTQIZHUMGA-KDCKXVQZSA-N

> <FORMULA>
C31H42O10

> <MOLECULAR_WEIGHT>
574.667

> <EXACT_MASS>
574.277797552

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
60.95185776110012

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3'R,4'S,5'R,6'R)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3H-spiro[2-benzofuran-1,2'-oxane]-4'-yl (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

> <ALOGPS_LOGP>
4.30

> <JCHEM_LOGP>
4.179479087333334

> <ALOGPS_LOGS>
-4.16

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.236041889427426

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.557576328839977

> <JCHEM_PKA_STRONGEST_BASIC>
-1.322976472783075

> <JCHEM_POLAR_SURFACE_AREA>
166.14000000000001

> <JCHEM_REFRACTIVITY>
156.2918

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.93e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3'R,4'S,5'R,6'R)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3H-spiro[2-benzofuran-1,2'-oxane]-4'-yl (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      17.478  14.713   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.812  15.483   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.146  14.713   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.146  13.173   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      21.479  15.483   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      22.813  14.713   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      24.147  15.483   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      25.480  14.713   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      26.814  15.483   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      28.148  14.713   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      28.148  13.173   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      29.481  15.483   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      29.481  17.023   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      30.815  14.713   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      32.149  15.483   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      33.482  14.713   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      34.816  15.483   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      36.150  14.713   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      37.483  15.483   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      37.483  17.023   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      38.817  14.713   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      40.151  15.483   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      40.151  17.023   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      38.817  17.793   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      41.484  17.793   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      41.484  19.333   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      42.818  20.103   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      42.818  17.023   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      42.818  15.483   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      44.225  16.109   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      45.255  14.965   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      44.485  13.631   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      44.961  12.166   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      43.931  11.022   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      44.407   9.557   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      42.424  11.342   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      41.949  12.807   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      40.442  13.127   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      42.979  13.951   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      41.484  14.713   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      40.239  13.807   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   40                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   29                                                       
CONECT   29   28   30   39   40                                             
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   39                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   32   29                                                  
CONECT   40   29   22   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   86    0
END

View in JSmol

Synonyms

Value	Source
Papulacandin e	MeSH
Papulacandin a	MeSH
Papulacandin D	MeSH
Papulacandin C	MeSH

Chemical Formula

C₃₁H₄₂O₁₀

Average Mass

574.6670 Da

Monoisotopic Mass

574.27780 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC(C)CC\C=C\C=C(/C)C(O)C\C=C\C=C\C(=O)O[C@H]1[C@H](O)[C@@H](CO)OC2(OCC3=CC(O)=CC(O)=C23)[C@@H]1O

InChI Identifier

InChI=1S/C31H42O10/c1-4-19(2)11-7-5-8-12-20(3)23(34)13-9-6-10-14-26(36)40-29-28(37)25(17-32)41-31(30(29)38)27-21(18-39-31)15-22(33)16-24(27)35/h5-6,8-10,12,14-16,19,23,25,28-30,32-35,37-38H,4,7,11,13,17-18H2,1-3H3/b8-5+,9-6+,14-10+,20-12+/t19?,23?,25-,28-,29+,30-,31?/m1/s1

InChI Key

XKSZJTQIZHUMGA-KDCKXVQZSA-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
Arthrinium phaeospermum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Saccharolipids

Sub Class

Not Available

Direct Parent

Saccharolipids

Alternative Parents

Substituents

Saccharolipid
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Alkyl glycoside
Fatty alcohol
Isobenzofuran
Isocoumaran
Fatty acid ester
Ketal
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Fatty acyl
Benzenoid
Monosaccharide
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Carboxylic acid ester
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Primary alcohol
Carbonyl group
Alcohol
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	4.3	ALOGPS
logS	-4.2	ALOGPS

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

4952935

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6450326

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Berzaghi R, Agocs A, Curto MA, Gulyas-Fekete G, Kocsis B, Ribas JC, Lorand T: Novel Cell Wall Antifungals Reveal a Special Synergistic Activity in pbr1 Mutants Resistant to the Glucan Synthesis Antifungals Papulacandins and Echinocandins. Front Microbiol. 2019 Jul 24;10:1692. doi: 10.3389/fmicb.2019.01692. eCollection 2019. [PubMed:31428061 ]
van der Kaaden M, Breukink E, Pieters RJ: Synthesis and antifungal properties of papulacandin derivatives. Beilstein J Org Chem. 2012;8:732-7. doi: 10.3762/bjoc.8.82. Epub 2012 May 14. [PubMed:23015820 ]
Martins IM, Cortes JC, Munoz J, Moreno MB, Ramos M, Clemente-Ramos JA, Duran A, Ribas JC: Differential activities of three families of specific beta(1,3)glucan synthase inhibitors in wild-type and resistant strains of fission yeast. J Biol Chem. 2011 Feb 4;286(5):3484-96. doi: 10.1074/jbc.M110.174300. Epub 2010 Nov 29. [PubMed:21115488 ]
LOTUS database [Link]

Showing NP-Card for (3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate (NP0147585)

MOL for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)

3D MOL for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)

3D SDF for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)

3D-SDF for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)

PDB for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)

3D PDB for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)

SMILES for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)

INCHI for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)

Structure for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)

3D Structure for NP0147585 ((3'r,4's,5'r,6'r)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate)