NP-MRD: Showing NP-Card for Shizukaol D (NP0077162)

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Record Information

Version

2.0

Created at

2022-04-28 22:18:50 UTC

Updated at

2022-04-28 22:18:50 UTC

NP-MRD ID

NP0077162

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Shizukaol D

Description

Shizukaol D belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Shizukaol D is found in Chloranthus fortunei, Chloranthus japonicus, Chloranthus multistachys, Chloranthus serratus and Chloranthus spicatus. Shizukaol D was first documented in 2011 (PMID: 21963639). Based on a literature review a small amount of articles have been published on Shizukaol D (PMID: 27910244) (PMID: 34981878) (PMID: 27010735) (PMID: 23967345).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292200182D          

 42 49  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652304292200182D          

 42 49  0  0  1  0            999 V2000
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    1.0614    2.7520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7466    2.2924    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0060    1.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4180    3.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1494    4.6559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7749    6.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820    6.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8441    3.4793    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7887    2.6562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9887    2.4546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5633    1.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6371    3.8821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3979    3.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4898    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8257    2.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2458    2.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067    2.3031    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  1  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  1  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 13  1  6  0  0  0
  9 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
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  1  1  0  0  0
 26 28  1  1  0  0  0
 25 29  1  1  0  0  0
 24 30  1  1  0  0  0
  5 31  1  0  0  0  0
 31 32  1  0  0  0  0
  2 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
  1 35  1  0  0  0  0
 35 36  1  1  0  0  0
 34 36  1  1  0  0  0
 33 37  1  6  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
  1 42  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0077162

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@H](COC(C)=O)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C33H38O9/c1-12(29(38)40-5)24-26-25-16(14-6-20(14)32(25,4)28(37)27(24)36)8-23-31(3)19-7-15(19)18(11-41-13(2)35)21(31)9-22-17(10-34)30(39)42-33(22,23)26/h14-15,18-21,23,26,28,34,37H,6-11H2,1-5H3/b24-12-/t14-,15-,18-,19-,20-,21+,23+,26+,28+,31+,32+,33+/m1/s1

> <INCHI_KEY>
UEHIWILSQZCXQY-LWKKLXHHSA-N

> <FORMULA>
C33H38O9

> <MOLECULAR_WEIGHT>
578.658

> <EXACT_MASS>
578.251582804

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
60.472987253262616

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 2-[(1R,2S,8S,9R,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0^{2,6}.0^{2,14}.0^{8,13}.0^{10,12}.0^{17,19}.0^{20,24}]tetracosa-5,16(24)-dien-23-ylidene]propanoate

> <ALOGPS_LOGP>
2.11

> <JCHEM_LOGP>
1.315819143999998

> <ALOGPS_LOGS>
-4.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.272241821962911

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.9447450811039784

> <JCHEM_PKA_STRONGEST_BASIC>
-2.860184621135101

> <JCHEM_POLAR_SURFACE_AREA>
136.43000000000004

> <JCHEM_REFRACTIVITY>
148.7191

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.13e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 2-[(1R,2S,8S,9R,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0^{2,6}.0^{2,14}.0^{8,13}.0^{10,12}.0^{17,19}.0^{20,24}]tetracosa-5,16(24)-dien-23-ylidene]propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0       8.493   5.886   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.480   7.068   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.949   8.514   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.432   8.777   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.396  10.062   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.119   9.705   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.022  11.041   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       4.996   8.385   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       6.445   7.595   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.976   6.149   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.989   4.967   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.471   5.230   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.941   6.676   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.928   7.858   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.397   9.304   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.478  10.871   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.222  10.769   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.182  12.474   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.731  12.989   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       6.354  13.473   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.074  14.988   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.880   9.568   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.696  10.726   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.893   8.386   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.424   6.940   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.981   5.137   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.260   4.279   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.878   3.601   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.780   6.668   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.279   8.691   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       7.046  11.866   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       8.553  12.649   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.909   6.495   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.806   4.958   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.312   4.582   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.385   3.477   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      12.389   7.246   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      13.809   6.626   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      13.981   5.095   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      12.741   4.182   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      15.392   4.479   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.853   4.299   0.000  0.00  0.00           C+0
CONECT    1    2   10   35   42                                             
CONECT    2    1    3   33                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6   31                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8    4   10   14                                             
CONECT   10    9    1   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   27                                                  
CONECT   13   12   14   25                                                  
CONECT   14   13    9   15                                                  
CONECT   15   14   16   22                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20                                                            
CONECT   22   15   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   30                                                  
CONECT   25   24   13   26   29                                             
CONECT   26   25   27   28                                                  
CONECT   27   26   12   28                                                  
CONECT   28   27   26                                                       
CONECT   29   25                                                            
CONECT   30   24                                                            
CONECT   31    5   32                                                       
CONECT   32   31                                                            
CONECT   33    2   34   37                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34    1   36                                                  
CONECT   36   35   34                                                       
CONECT   37   33   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42    1                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₃₈O₉

Average Mass

578.6580 Da

Monoisotopic Mass

578.25158 Da

IUPAC Name

methyl 2-[(1R,2S,8S,9R,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0^{2,6}.0^{2,14}.0^{8,13}.0^{10,12}.0^{17,19}.0^{20,24}]tetracosa-5,16(24)-dien-23-ylidene]propanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@H](COC(C)=O)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O

InChI Identifier

InChI=1S/C33H38O9/c1-12(29(38)40-5)24-26-25-16(14-6-20(14)32(25,4)28(37)27(24)36)8-23-31(3)19-7-15(19)18(11-41-13(2)35)21(31)9-22-17(10-34)30(39)42-33(22,23)26/h14-15,18-21,23,26,28,34,37H,6-11H2,1-5H3/b24-12-/t14-,15-,18-,19-,20-,21+,23+,26+,28+,31+,32+,33+/m1/s1

InChI Key

UEHIWILSQZCXQY-LWKKLXHHSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Chloranthus fortunei	Plant	KNApSAcK
Chloranthus japonicus	LOTUS Database	35616633
Chloranthus multistachys	LOTUS Database	35616633
Chloranthus serratus	LOTUS Database	35616633
Chloranthus spicatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Steroid ester
Naphthofuran
Tricarboxylic acid or derivatives
2-furanone
Cyclic alcohol
Dihydrofuran
Methyl ester
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Lactone
Ketone
Carboxylic acid ester
Cyclic ketone
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organic oxide
Alcohol
Organic oxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

triterpenoid (CHEBI:69785 )

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	2.11	ALOGPS
logP	1.32	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	3.94	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	136.43 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	148.72 m³·mol⁻¹	ChemAxon
Polarizability	60.47 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	Yes	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

C00040294

Chemspider ID

28424557

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

70698151

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kim SY, Kashiwada Y, Kawazoe K, Murakami K, Sun HD, Li SL, Takaishi Y: Spicachlorantins G-J, new lindenane sesquiterpenoid dimers from the roots of Chloranthus spicatus. Chem Pharm Bull (Tokyo). 2011;59(10):1281-4. doi: 10.1248/cpb.59.1281. [PubMed:21963639 ]
Yuan C, Du B, Deng H, Man Y, Liu B: Total Syntheses of Sarcandrolide J and Shizukaol D: Lindenane Sesquiterpenoid [4+2] Dimers. Angew Chem Int Ed Engl. 2017 Jan 9;56(2):637-640. doi: 10.1002/anie.201610484. Epub 2016 Dec 2. [PubMed:27910244 ]
Yuan C, Du B, Deng H, Man Y, Liu B: Corrigendum: Total Syntheses of Sarcandrolide J and Shizukaol D: Lindenane Sesquiterpenoid [4+2] Dimers. Angew Chem Int Ed Engl. 2022 Jan 10;61(2):e202113743. doi: 10.1002/anie.202113743. [PubMed:34981878 ]
Tang L, Zhu H, Yang X, Xie F, Peng J, Jiang D, Xie J, Qi M, Yu L: Shizukaol D, a Dimeric Sesquiterpene Isolated from Chloranthus serratus, Represses the Growth of Human Liver Cancer Cells by Modulating Wnt Signalling Pathway. PLoS One. 2016 Mar 24;11(3):e0152012. doi: 10.1371/journal.pone.0152012. eCollection 2016. [PubMed:27010735 ]
Hu R, Yan H, Hao X, Liu H, Wu J: Shizukaol D isolated from Chloranthus japonicas inhibits AMPK-dependent lipid content in hepatic cells by inducing mitochondrial dysfunction. PLoS One. 2013 Aug 14;8(8):e73527. doi: 10.1371/journal.pone.0073527. eCollection 2013. [PubMed:23967345 ]

Showing NP-Card for Shizukaol D (NP0077162)

MOL for NP0077162 (Shizukaol D)

3D MOL for NP0077162 (Shizukaol D)

3D SDF for NP0077162 (Shizukaol D)

3D-SDF for NP0077162 (Shizukaol D)

PDB for NP0077162 (Shizukaol D)

3D PDB for NP0077162 (Shizukaol D)

SMILES for NP0077162 (Shizukaol D)

INCHI for NP0077162 (Shizukaol D)

Structure for NP0077162 (Shizukaol D)

3D Structure for NP0077162 (Shizukaol D)