NP-MRD: Showing NP-Card for (1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione (NP0315670)

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Record Information

Version

2.0

Created at

2022-09-11 14:25:12 UTC

Updated at

2022-09-11 14:25:12 UTC

NP-MRD ID

NP0315670

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione

Description

Merrillianolide belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. (1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione was first documented in 2010 (PMID: 19670158). Based on a literature review very few articles have been published on Merrillianolide.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 46  0  0  0  0  0  0  0  0999 V2000
   -3.3947   -0.2093   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039   -0.5523    0.1145 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0004   -1.9651    0.0644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650   -0.0687    1.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5928    0.2486    1.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0816   -0.2051    0.6651 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0276   -1.6316    0.8095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8526   -0.0100   -0.5416 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2302   -0.9393   -1.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1001   -1.4930   -1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4989   -2.4165   -1.8663 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0553   -1.0239   -0.1079 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4002   -0.9701   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130   -1.9580    0.9187 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    0.2520    0.2309 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7650    1.0051   -1.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    1.2386    1.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829    2.3617    0.8834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3546    2.3595    0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    3.3320    0.5403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8639    1.4329   -0.8134 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2213    1.8202   -1.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9524    0.6337   -0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1216   -1.0685   -0.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3686   -0.1000   -1.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8367   -2.3937   -0.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4503   -0.9073    2.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7078    0.8069    1.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3437   -0.4171    2.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5631    1.2163    2.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703   -1.9326    1.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3324   -0.5915   -2.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9106   -1.8533   -1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834   -2.0376   -0.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3712   -0.7188   -1.8441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1663   -0.4108   -0.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290   -1.4553    1.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233    1.0267   -0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809    2.1037   -1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6704    0.5196   -1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7805    1.6149    1.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    0.9804    2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4682    1.5914   -1.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276    2.7849   -0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  1
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  1
 12 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
  8  2  1  0
 21  8  1  0
 15  6  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  7 31  1  0
  9 32  1  0
  9 33  1  0
 13 34  1  0
 13 35  1  0
 13 36  1  0
 14 37  1  0
 16 38  1  0
 16 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 21 43  1  6
 22 44  1  0
M  END


  Mrv1652309112216252D          

 22 24  0  0  1  0            999 V2000
   -0.2578    0.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5113    0.0094    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7277    0.8056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1341   -0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5912   -1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4518   -0.9378    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2122   -0.6177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3257   -0.1225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7662   -0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070   -1.2093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0466   -1.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3678   -1.8143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6274   -2.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5040   -2.6280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864   -1.9173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3696   -2.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796   -1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1231   -0.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    0.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    0.4553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9922    1.2767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  6  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  1  0  0  0
 12 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0315670

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@]1(O)CC[C@@]2(O)[C@@]11CC(=O)[C@](C)(O)[C@]2(C)COC(=O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H22O7/c1-11-7-22-10(18)9(17)14(6-8(16)13(11,3)20)12(2,19)4-5-15(11,14)21/h9,17,19-21H,4-7H2,1-3H3/t9-,11-,12-,13-,14+,15-/m0/s1

> <INCHI_KEY>
LTHWAIHQURJBOI-SVJDTZHWSA-N

> <FORMULA>
C15H22O7

> <MOLECULAR_WEIGHT>
314.334

> <EXACT_MASS>
314.136553048

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
35.253192298909724

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,5S,6R,10R,13R)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0^{1,5}]tridecane-9,12-dione

> <JCHEM_LOGP>
-1.5129623149999998

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.712131127974537

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.444093433822063

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0793351487525635

> <JCHEM_POLAR_SURFACE_AREA>
124.29

> <JCHEM_REFRACTIVITY>
73.1086

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,5S,6R,10R,13R)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0^{1,5}]tridecane-9,12-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.481   0.575   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.954   0.018   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.358   1.504   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.250  -1.352   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.104  -2.814   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.710  -1.751   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.129  -1.153   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.475  -0.229   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.430  -0.719   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.506  -2.257   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.087  -2.855   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.553  -3.387   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.171  -4.066   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.807  -4.906   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.081  -3.579   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.423  -5.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.375  -2.744   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.830  -1.273   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.232   0.147   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.362   1.194   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       3.862   0.850   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       3.719   2.383   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4    8                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   15                                             
CONECT    7    6                                                            
CONECT    8    6    2    9   21                                             
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14   15                                             
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   12    6   16   17                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19    8   22                                                  
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₂O₇

Average Mass

314.3340 Da

Monoisotopic Mass

314.13655 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@]1(O)CC[C@@]2(O)[C@@]11CC(=O)[C@](C)(O)[C@]2(C)COC(=O)[C@@H]1O

InChI Identifier

InChI=1S/C15H22O7/c1-11-7-22-10(18)9(17)14(6-8(16)13(11,3)20)12(2,19)4-5-15(11,14)21/h9,17,19-21H,4-7H2,1-3H3/t9-,11-,12-,13-,14+,15-/m0/s1

InChI Key

LTHWAIHQURJBOI-SVJDTZHWSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactones

Sub Class

Not Available

Direct Parent

Lactones

Alternative Parents

Substituents

Caprolactone
Oxepane
Acyloin
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Cyclic ketone
Secondary alcohol
Ketone
Lactone
Carboxylic acid derivative
Oxacycle
Polyol
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Alcohol
Organooxygen compound
Organic oxide
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

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

8932939

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15431101

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Liu JF, Jiang ZY, Zhang Q, Shi Y, Ma YB, Xie MJ, Zhang XM, Chen JJ: Henrylactones A-E and anti-HBV constituents from Illicium henryi. Planta Med. 2010 Feb;76(2):152-8. doi: 10.1055/s-0029-1186037. Epub 2009 Aug 10. [PubMed:19670158 ]
LOTUS database [Link]

Showing NP-Card for (1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione (NP0315670)

MOL for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)

3D MOL for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)

3D SDF for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)

3D-SDF for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)

PDB for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)

3D PDB for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)

SMILES for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)

INCHI for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)

Structure for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)

3D Structure for NP0315670 ((1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione)