NP-MRD: Showing NP-Card for skimmiarepin a (NP0182368)

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Record Information

Version

2.0

Created at

2022-09-03 21:02:17 UTC

Updated at

2022-09-03 21:02:17 UTC

NP-MRD ID

NP0182368

Secondary Accession Numbers

None

Natural Product Identification

Common Name

skimmiarepin a

Description

Skimmiarepin A belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17. skimmiarepin a is found in Skimmia japonica. skimmiarepin a was first documented in 2003 (PMID: 12762805). Based on a literature review a small amount of articles have been published on Skimmiarepin A (PMID: 21875114) (PMID: 14984083).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032223022D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309032223022D          

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    6.1146   -0.6539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5828   -1.2846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8343    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0222    0.2673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7419    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9298    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979    0.5577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1176    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6782   -0.2182    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1464   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3343   -0.7037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8025   -1.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    0.0722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5222   -0.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858    0.7029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3055    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9616    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7737    0.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2419    0.2174    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5906   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370    0.9666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3693    1.6179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1939    1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4742    2.3670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2667    2.5963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0677    2.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8383    3.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4597    3.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5408    3.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8229    2.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1400    2.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6359    2.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3736   -1.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1021   -0.9169    0.0000 C   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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 22 24  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  6  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 30 36  1  0  0  0  0
 36 37  1  0  0  0  0
 28 37  1  0  0  0  0
 37 38  1  0  0  0  0
 13 39  1  0  0  0  0
  8 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0182368

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]45C[C@]4(CC[C@H]5[C@@H]4C[C@@H](OC4O)[C@@H]4OC4(C)C)[C@]3(C)[C@H](O)C[C@H]2C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26+,28-,29?,32+,33-,34+,35+/m0/s1

> <INCHI_KEY>
LEZNRZJCVJRZHO-YPEKPQOMSA-N

> <FORMULA>
C35H56O6

> <MOLECULAR_WEIGHT>
572.827

> <EXACT_MASS>
572.407689523

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
66.86968139422989

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethylpentacyclo[12.3.1.0^{1,14}.0^{2,11}.0^{5,10}]octadecan-7-yl 3-methylbutanoate

> <JCHEM_LOGP>
5.460865496666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.165188393404849

> <JCHEM_PKA_STRONGEST_BASIC>
-0.21546657260355018

> <JCHEM_POLAR_SURFACE_AREA>
88.52000000000001

> <JCHEM_REFRACTIVITY>
156.10240000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethylpentacyclo[12.3.1.0^{1,14}.0^{2,11}.0^{5,10}]octadecan-7-yl 3-methylbutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      14.969  -3.211   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.453  -2.940   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.460  -4.117   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.930  -1.492   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.414  -1.221   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      10.421  -2.398   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      10.891   0.228   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       9.375   0.499   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.852   1.947   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.336   2.218   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.343   1.041   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.820   2.489   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.866  -0.407   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.873  -1.585   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.357  -1.314   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.365  -2.491   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.834   0.135   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.841  -1.043   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.827   1.312   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.304   2.761   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.788   3.032   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.795   1.854   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.311   1.583   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.318   0.406   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.102  -0.539   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.172   0.325   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.256   1.804   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.689   3.020   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.229   2.970   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.752   4.418   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.231   4.846   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -5.726   4.477   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -5.298   5.957   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.458   6.970   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.743   7.393   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -1.536   5.364   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -0.261   4.499   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.187   5.023   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       8.382  -0.678   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.164  -2.203   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.524  -1.712   0.000  0.00  0.00           C+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   39                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13   19                                             
CONECT   12   11                                                            
CONECT   13   11   14   39                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19   24                                             
CONECT   18   17                                                            
CONECT   19   17   11   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   27                                             
CONECT   23   22   24                                                       
CONECT   24   23   22   17   25                                             
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22   28                                                  
CONECT   28   27   29   37                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   36                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31   33                                                       
CONECT   33   32   31   34   35                                             
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   30   37                                                       
CONECT   37   36   28   38                                                  
CONECT   38   37                                                            
CONECT   39   13    8   40   41                                             
CONECT   40   39                                                            
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₅₆O₆

Average Mass

572.8270 Da

Monoisotopic Mass

572.40769 Da

IUPAC Name

(1S,2R,3R,5R,7R,10S,11R,14R,15S)-15-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethylpentacyclo[12.3.1.0^{1,14}.0^{2,11}.0^{5,10}]octadecan-7-yl 3-methylbutanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]45C[C@]4(CC[C@H]5[C@@H]4C[C@@H](OC4O)[C@@H]4OC4(C)C)[C@]3(C)[C@H](O)C[C@H]2C1(C)C

InChI Identifier

InChI=1S/C35H56O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h19-26,28-29,36,38H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26+,28-,29?,32+,33-,34+,35+/m0/s1

InChI Key

LEZNRZJCVJRZHO-YPEKPQOMSA-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
Skimmia japonica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Limonoids

Alternative Parents

Substituents

Limonoid skeleton
Steroid ester
Fatty acid ester
Fatty acyl
Cyclic alcohol
Tetrahydrofuran
Carboxylic acid ester
Hemiacetal
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Monocarboxylic acid or derivatives
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

limonoid (CHEBI:69357 )

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	5.46	ChemAxon
pKa (Strongest Acidic)	12.17	ChemAxon
pKa (Strongest Basic)	-0.22	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	88.52 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	156.1 m³·mol⁻¹	ChemAxon
Polarizability	66.87 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	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00044450

Chemspider ID

35518239

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

54758525

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Li J, Mahdi F, Du L, Datta S, Nagle DG, Zhou YD: Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2alpha and elongation factor eEF2. J Nat Prod. 2011 Sep 23;74(9):1894-901. doi: 10.1021/np200370z. Epub 2011 Aug 29. [PubMed:21875114 ]
Samarasekera JK, Khambay BP, Hemalal KP: A new insecticidal protolimonoid from Aegle marmelos. Nat Prod Res. 2004 Apr;18(2):117-22. doi: 10.1080/1478641031000149858. [PubMed:14984083 ]
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LOTUS database [Link]

Showing NP-Card for skimmiarepin a (NP0182368)

MOL for NP0182368 (skimmiarepin a)

3D MOL for NP0182368 (skimmiarepin a)

3D SDF for NP0182368 (skimmiarepin a)

3D-SDF for NP0182368 (skimmiarepin a)

PDB for NP0182368 (skimmiarepin a)

3D PDB for NP0182368 (skimmiarepin a)

SMILES for NP0182368 (skimmiarepin a)

INCHI for NP0182368 (skimmiarepin a)

Structure for NP0182368 (skimmiarepin a)

3D Structure for NP0182368 (skimmiarepin a)