NP-MRD: Showing NP-Card for 4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one (NP0254573)

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Record Information

Version

2.0

Created at

2022-09-07 18:47:00 UTC

Updated at

2022-09-07 18:47:00 UTC

NP-MRD ID

NP0254573

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one

Description

Dichomitone belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. 4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one is found in Dichomitus squalens. 4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one was first documented in 2004 (PMID: 15620268). Based on a literature review very few articles have been published on dichomitone.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
    5.0036    1.1304    1.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    0.9991    1.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8695    2.0046    1.1532 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8732   -0.3226    1.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819   -0.2789    0.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0921    0.3234   -0.3232 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2198    0.5413   -0.9366 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5694    0.4303   -0.3697 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1284   -0.9555   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6477   -0.7683    0.0154 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0971   -0.2948   -1.2366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9962    0.1527    0.9498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5011    1.4473    0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9651    1.2480    0.7916 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8662    0.6597    2.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -0.5564   -1.5048 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4663   -2.0055   -1.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3029   -0.3243   -2.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249   -1.4010   -3.2747 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3149    2.0854    1.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2912    0.9671    2.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4452    0.3055    0.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062   -0.8298    2.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3496   -0.9644    0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9931    0.4314    1.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0089   -1.2841    1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9586    0.9662   -0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1662    1.4561   -1.6414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2728    0.7980   -1.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9961   -1.5921   -1.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -1.3640    0.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1584   -1.7061    0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0438   -0.0369   -1.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7839    1.7170   -0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8549    2.1055    1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5699    2.2890    0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120   -0.1999    2.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3983    1.4613    2.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8217    0.4422    2.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5236   -2.4260   -1.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0667   -2.5182   -2.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1181   -2.3462   -0.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9181    0.5855   -2.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565   -0.1817   -3.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4801   -2.1905   -3.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 10  1  0
 10 11  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
  6 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
  8 14  1  0
 16  7  1  0
 15 37  1  0
 15 38  1  0
 15 39  1  0
 14 36  1  1
 13 34  1  0
 13 35  1  0
 10 32  1  1
 11 33  1  0
  9 30  1  0
  9 31  1  0
  8 29  1  6
  7 28  1  6
  6 27  1  6
  5 25  1  0
  5 26  1  0
  4 23  1  0
  4 24  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
 17 40  1  0
 17 41  1  0
 17 42  1  0
 18 43  1  0
 18 44  1  0
 19 45  1  0
M  END


  Mrv1652309072220472D          

 19 20  0  0  1  0            999 V2000
    3.9849   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -1.9520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3020   -1.9520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4125   -2.3645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4125   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -1.9520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1270   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2413   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1877   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8390    0.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  8  9  1  1  0  0  0
  9 10  1  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
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  1  0  0  0
  7 16  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  1  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0254573

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1COC(O)C[C@@H]1[C@H]1[C@@H](CCC(C)=O)[C@]1(C)CO

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O4/c1-9-7-19-13(18)6-11(9)14-12(5-4-10(2)17)15(14,3)8-16/h9,11-14,16,18H,4-8H2,1-3H3/t9-,11+,12-,13?,14+,15+/m1/s1

> <INCHI_KEY>
XWGMWDXATZANIP-KNTYYSJVSA-N

> <FORMULA>
C15H26O4

> <MOLECULAR_WEIGHT>
270.369

> <EXACT_MASS>
270.183109317

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
30.440816101598376

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-[(1R,2S,3S)-3-[(4R,5S)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one

> <JCHEM_LOGP>
0.793679184

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.04750477227483

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.466422739241057

> <JCHEM_PKA_STRONGEST_BASIC>
-1.4652099301268908

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
72.42790000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
4-[(1R,2S,3S)-3-[(4R,5S)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       7.438  -3.644   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.105  -4.414   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       6.105  -5.954   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       4.771  -3.644   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.437  -4.414   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.104  -3.644   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.564  -3.644   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.770  -4.414   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.770  -5.954   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.104  -6.724   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.104  -8.264   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -3.437  -5.954   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -3.437  -4.414   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.104  -3.644   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.104  -2.104   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.450  -1.049   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.217  -1.049   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.566   0.347   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   16                                                  
CONECT    7    6    8   16                                                  
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    8   15                                                  
CONECT   15   14                                                            
CONECT   16    7    6   17   18                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₆O₄

Average Mass

270.3690 Da

Monoisotopic Mass

270.18311 Da

IUPAC Name

4-[(1R,2S,3S)-3-[(4R,5S)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one

Traditional Name

4-[(1R,2S,3S)-3-[(4R,5S)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one

CAS Registry Number

Not Available

SMILES

C[C@@H]1COC(O)C[C@@H]1[C@H]1[C@@H](CCC(C)=O)[C@]1(C)CO

InChI Identifier

InChI=1S/C15H26O4/c1-9-7-19-13(18)6-11(9)14-12(5-4-10(2)17)15(14,3)8-16/h9,11-14,16,18H,4-8H2,1-3H3/t9-,11+,12-,13?,14+,15+/m1/s1

InChI Key

XWGMWDXATZANIP-KNTYYSJVSA-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
Dichomitus squalens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Oxanes

Sub Class

Not Available

Direct Parent

Oxanes

Alternative Parents

Substituents

Oxane
Ketone
Hemiacetal
Oxacycle
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	0.79	ChemAxon
pKa (Strongest Acidic)	12.47	ChemAxon
pKa (Strongest Basic)	-1.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	72.43 m³·mol⁻¹	ChemAxon
Polarizability	30.44 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

C00043453

Chemspider ID

9440717

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11265706

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Huang Z, Dan Y, Huang Y, Lin L, Li T, Ye W, Wei X: Sesquiterpenes from the mycelial cultures of Dichomitus squalens. J Nat Prod. 2004 Dec;67(12):2121-3. doi: 10.1021/np0497144. [PubMed:15620268 ]
LOTUS database [Link]

Showing NP-Card for 4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one (NP0254573)

MOL for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)

3D MOL for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)

3D SDF for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)

3D-SDF for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)

PDB for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)

3D PDB for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)

SMILES for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)

INCHI for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)

Structure for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)

3D Structure for NP0254573 (4-[(1r,2s,3s)-3-[(4r,5s)-2-hydroxy-5-methyloxan-4-yl]-2-(hydroxymethyl)-2-methylcyclopropyl]butan-2-one)