NP-MRD: Showing NP-Card for 7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal (NP0152589)

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Record Information

Version

2.0

Created at

2022-09-02 09:06:13 UTC

Updated at

2022-09-02 09:06:13 UTC

NP-MRD ID

NP0152589

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal

Description

7-Hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]Undecan-2-yl]-6-methylnona-2,4-dienal belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. 7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal is found in Sorangium cellulosum. Based on a literature review very few articles have been published on 7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]Undecan-2-yl]-6-methylnona-2,4-dienal.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022211062D          

 40 41  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309022211062D          

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   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    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   -0.4125    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
    4.2868   -0.8250    0.0000 O   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
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   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
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  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  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 28  1  4  0  0  0
 30 31  2  0  0  0  0
 32 31  1  4  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 23 36  1  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
 15 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0152589

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC=C(C)CC(C)C(O)C(C)C1OC2(CC(OC)C1C)OC(C(C)C(O)C(C)C=CC=CC=O)C(C)CC2O

> <INCHI_IDENTIFIER>
InChI=1S/C33H56O7/c1-10-14-20(2)17-22(4)30(37)26(8)32-24(6)27(38-9)19-33(40-32)28(35)18-23(5)31(39-33)25(7)29(36)21(3)15-12-11-13-16-34/h11-16,21-32,35-37H,10,17-19H2,1-9H3

> <INCHI_KEY>
HIBXHLLAIDYISL-UHFFFAOYSA-N

> <FORMULA>
C33H56O7

> <MOLECULAR_WEIGHT>
564.804

> <EXACT_MASS>
564.402604143

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
65.07780755704296

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal

> <ALOGPS_LOGP>
5.05

> <JCHEM_LOGP>
5.450117311

> <ALOGPS_LOGS>
-4.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.321593535467997

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.196862092284707

> <JCHEM_PKA_STRONGEST_BASIC>
-2.964827369386155

> <JCHEM_POLAR_SURFACE_AREA>
105.45

> <JCHEM_REFRACTIVITY>
161.82850000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.91e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal

> <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      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.336  -3.850   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.669  -1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.002  -1.540   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       9.336   0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.002   3.080   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.668   5.390   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       5.335   7.700   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      12.003  -3.850   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      10.669  -6.160   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      10.669  -7.700   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   22   39                                             
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   13   21                                                  
CONECT   21   20                                                            
CONECT   22   15   23                                                       
CONECT   23   22   24   36                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   23   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   15   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₅₆O₇

Average Mass

564.8040 Da

Monoisotopic Mass

564.40260 Da

IUPAC Name

7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal

Traditional Name

7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal

CAS Registry Number

Not Available

SMILES

CCC=C(C)CC(C)C(O)C(C)C1OC2(CC(OC)C1C)OC(C(C)C(O)C(C)C=CC=CC=O)C(C)CC2O

InChI Identifier

InChI=1S/C33H56O7/c1-10-14-20(2)17-22(4)30(37)26(8)32-24(6)27(38-9)19-33(40-32)28(35)18-23(5)31(39-33)25(7)29(36)21(3)15-12-11-13-16-34/h11-16,21-32,35-37H,10,17-19H2,1-9H3

InChI Key

HIBXHLLAIDYISL-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
Sorangium cellulosum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Fatty alcohols

Alternative Parents

Substituents

Fatty alcohol
Ketal
Oxane
Alpha,beta-unsaturated aldehyde
Enal
Secondary alcohol
Organoheterocyclic compound
Ether
Dialkyl ether
Acetal
Oxacycle
Organic oxide
Organooxygen compound
Organic oxygen compound
Alcohol
Carbonyl group
Aldehyde
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	5.05	ALOGPS
logP	5.45	ChemAxon
logS	-4.9	ALOGPS
pKa (Strongest Acidic)	13.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	105.45 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	161.83 m³·mol⁻¹	ChemAxon
Polarizability	65.08 Å³	ChemAxon
Number of Rings	2	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

163079146

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal (NP0152589)

MOL for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)

3D MOL for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)

3D SDF for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)

3D-SDF for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)

PDB for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)

3D PDB for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)

SMILES for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)

INCHI for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)

Structure for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)

3D Structure for NP0152589 (7-hydroxy-8-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-6-methylnona-2,4-dienal)