NP-MRD: Showing NP-Card for methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate (NP0288995)

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Record Information

Version

2.0

Created at

2022-09-09 18:58:24 UTC

Updated at

2022-09-09 18:58:24 UTC

NP-MRD ID

NP0288995

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate

Description

Methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate is found in Cladosporium cladosporioides. Based on a literature review very few articles have been published on methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 52  0  0  0  0  0  0  0  0999 V2000
    7.1308    2.0055    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9460    1.3314    0.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8916   -0.0405    0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8459   -0.6481   -0.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.7590    0.5281 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7683   -2.1098    0.1955 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5299   -0.1985   -0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073   -1.0775    0.0849 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283   -0.4851   -0.9149 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6505   -1.1137   -0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0112   -2.5038   -0.6504 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2368   -3.1183   -1.8618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2611   -2.6807    0.2463 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9804   -2.3539    1.5591 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5255   -2.1897   -0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3603   -1.2427    0.5847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6333   -0.0028    0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0789    1.3411    0.9752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7588    2.1378    1.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8596    2.1046   -0.0541 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6508    3.6240   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6455    1.4563    0.1524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955    0.9850   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4147    1.6240   -0.9864 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0111    3.0971    0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    1.5805    0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2811    1.8495   -1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4213   -0.6212    1.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7409   -2.2076   -0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514   -0.4580   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4793    0.8755   -0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8545   -0.5390   -1.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3207   -0.6283   -1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8909   -0.7397    0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2252   -3.1181   -0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1044   -2.5272   -2.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3484   -3.8164    0.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1782   -3.0467    2.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3086   -1.6183   -1.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2485   -2.9868   -0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5239   -1.7375    1.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333   -1.1452    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8456   -0.2140    1.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1681    0.1296   -0.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5840    1.8458    0.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6517    1.5276    1.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104    1.6457    1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0661    3.1101    1.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3769    1.8018   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6247    4.1055   -0.2663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0055    3.9897    0.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1288    3.7598   -1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 23  9  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  5 28  1  1
  6 29  1  0
  7 30  1  0
  7 31  1  0
  9 32  1  6
 10 33  1  0
 10 34  1  0
 11 35  1  1
 12 36  1  0
 13 37  1  1
 14 38  1  0
 15 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 19 47  1  0
 19 48  1  0
 20 49  1  6
 21 50  1  0
 21 51  1  0
 21 52  1  0
M  END


  Mrv1652309092220582D          

 24 24  0  0  0  0            999 V2000
   -2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849    2.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 S   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
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205    2.5612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    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
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  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  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  9 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0288995

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C(O)CSC1CC(O)C(O)CCCCCC(C)OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H28O7S/c1-10-6-4-3-5-7-11(17)12(18)8-14(16(21)23-10)24-9-13(19)15(20)22-2/h10-14,17-19H,3-9H2,1-2H3

> <INCHI_KEY>
ZFDATSVNJAENKD-UHFFFAOYSA-N

> <FORMULA>
C16H28O7S

> <MOLECULAR_WEIGHT>
364.45

> <EXACT_MASS>
364.155574416

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
38.5872515508955

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate

> <JCHEM_LOGP>
0.5894938176666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.891524682238355

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.375761776182877

> <JCHEM_PKA_STRONGEST_BASIC>
-3.145260843929618

> <JCHEM_POLAR_SURFACE_AREA>
113.29000000000002

> <JCHEM_REFRACTIVITY>
89.286

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.667   3.080   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.334   0.770   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.000   3.080   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.905   4.326   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  S   UNK     0       2.667   3.080   0.000  0.00  0.00           S+0
HETATM    9  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.532   4.781   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.000   6.160   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.001   2.310   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    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   23                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22    9   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
Methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoic acid	Generator
Methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulphanyl]-2-hydroxypropanoate	Generator
Methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulphanyl]-2-hydroxypropanoic acid	Generator

Chemical Formula

C₁₆H₂₈O₇S

Average Mass

364.4500 Da

Monoisotopic Mass

364.15557 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)C(O)CSC1CC(O)C(O)CCCCCC(C)OC1=O

InChI Identifier

InChI=1S/C16H28O7S/c1-10-6-4-3-5-7-11(17)12(18)8-14(16(21)23-10)24-9-13(19)15(20)22-2/h10-14,17-19H,3-9H2,1-2H3

InChI Key

ZFDATSVNJAENKD-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
Cladosporium cladosporioides	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Monosaccharide
Dicarboxylic acid or derivatives
Methyl ester
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Dialkylthioether
Sulfenyl compound
Thioether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organosulfur compound
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

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

163073032

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate (NP0288995)

MOL for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)

3D MOL for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)

3D SDF for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)

3D-SDF for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)

PDB for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)

3D PDB for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)

SMILES for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)

INCHI for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)

Structure for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)

3D Structure for NP0288995 (methyl 3-[(5,6-dihydroxy-12-methyl-2-oxo-1-oxacyclododecan-3-yl)sulfanyl]-2-hydroxypropanoate)