NP-MRD: Showing NP-Card for [(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid (NP0283947)

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Record Information

Version

1.0

Created at

2022-09-09 11:25:59 UTC

Updated at

2022-09-09 11:25:59 UTC

NP-MRD ID

NP0283947

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid

Description

Bruceanic acid A, also known as bruceanate a, belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. [(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid is found in Brucea antidysenterica. It was first documented in 1990 (PMID: 2089121). Based on a literature review very few articles have been published on Bruceanic acid A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092213262D          

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M  END

     RDKit          2D

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M  END


  Mrv1652309092213262D          

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    2.0986   -1.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6613   -2.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4651   -2.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202   -3.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153   -0.9199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1391   -1.6482    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5826   -2.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3248   -1.6818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1057   -2.3856    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
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23  8  1  6  0  0  0
  5 23  1  0  0  0  0
  9 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 29 35  1  0  0  0  0
 35  8  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
  5 38  1  0  0  0  0
 38 39  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0283947

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)C)C(=O)C[C@@H]3C[C@@H](C(C)=O)[C@](C)(CC(O)=O)[C@H]4[C@@H](O)[C@@H]2O

> <INCHI_IDENTIFIER>
InChI=1S/C28H38O11/c1-12(2)13(3)7-19(33)39-21-17(30)9-15-8-16(14(4)29)26(5,10-18(31)32)22-20(34)24(35)28(25(36)37-6)23(21)27(15,22)11-38-28/h7,12,15-16,20-24,34-35H,8-11H2,1-6H3,(H,31,32)/b13-7+/t15-,16-,20+,21-,22+,23+,24-,26-,27+,28+/m0/s1

> <INCHI_KEY>
MYKJJRPOBAMRFM-ZQQCKLACSA-N

> <FORMULA>
C28H38O11

> <MOLECULAR_WEIGHT>
550.601

> <EXACT_MASS>
550.241412044

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
30.749025851427906

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(1S,2S,3R,6S,8R,9R,10R,11R,12S,13R)-8-acetyl-3-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0^{1,6}.0^{2,13}]pentadecan-9-yl]acetic acid

> <JCHEM_LOGP>
0.9215003446666664

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.61154344831506

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.829767665549623

> <JCHEM_PKA_STRONGEST_BASIC>
-3.320303916731481

> <JCHEM_POLAR_SURFACE_AREA>
173.72999999999996

> <JCHEM_REFRACTIVITY>
133.89090000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(1S,2S,3R,6S,8R,9R,10R,11R,12S,13R)-8-acetyl-3-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0^{1,6}.0^{2,13}]pentadecan-9-yl]acetic acid

> <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      -2.893  -0.536   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.693  -2.063   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.271  -2.654   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.071  -4.181   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.048  -1.717   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.174  -0.779   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -0.041   0.320   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.903  -0.347   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.043   0.796   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.584   2.269   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.082   2.609   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.598   4.071   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.090   1.452   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.435   1.666   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.011   3.095   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -3.536   3.309   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -1.063   4.308   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.639   5.736   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.164   5.951   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.691   6.949   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.834   6.734   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.267   8.377   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.806  -0.113   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.604   0.701   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.273  -0.681   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.807  -0.821   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.695   0.438   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       7.453  -2.219   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       4.367  -1.916   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.744  -2.606   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.917  -3.389   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.968  -4.515   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.468  -4.168   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.518  -5.988   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.829  -1.717   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.126  -3.077   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       2.954  -4.375   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       0.606  -3.139   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -0.197  -4.453   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   23   38                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   23   35                                             
CONECT    9    8   10   24                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   23                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   13    8    5                                                  
CONECT   24    9   25                                                       
CONECT   25   24   26   29                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   25   30   31   35                                             
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   29    8   36                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36    5   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

View in JSmol

Synonyms

Value	Source
Bruceanate a	Generator

Chemical Formula

C₂₈H₃₈O₁₁

Average Mass

550.6010 Da

Monoisotopic Mass

550.24141 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)[C@@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)C)C(=O)C[C@@H]3C[C@@H](C(C)=O)[C@](C)(CC(O)=O)[C@H]4[C@@H](O)[C@@H]2O

InChI Identifier

InChI=1S/C28H38O11/c1-12(2)13(3)7-19(33)39-21-17(30)9-15-8-16(14(4)29)26(5,10-18(31)32)22-20(34)24(35)28(25(36)37-6)23(21)27(15,22)11-38-28/h7,12,15-16,20-24,34-35H,8-11H2,1-6H3,(H,31,32)/b13-7+/t15-,16-,20+,21-,22+,23+,24-,26-,27+,28+/m0/s1

InChI Key

MYKJJRPOBAMRFM-ZQQCKLACSA-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
Brucea antidysenterica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Beta-hydroxy acid
Fatty acid ester
Oxepane
Alpha-acyloxy ketone
Hydroxy acid
Fatty acyl
Cyclic alcohol
Tetrahydrofuran
Methyl ester
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Cyclic ketone
Secondary alcohol
Carboxylic acid ester
1,2-diol
Ketone
Organoheterocyclic compound
Oxacycle
Carboxylic acid
Dialkyl ether
Ether
Alcohol
Organic oxygen compound
Organooxygen compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
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

23339877

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44567023

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Toyota T, Fukamiya N, Okano M, Tagahara K, Chang JJ, Lee KH: Antitumor agents, 118. The isolation and characterization of bruceanic acid A, its methyl ester, and the new bruceanic acids B, C, and D, from Brucea antidysenterica. J Nat Prod. 1990 Nov-Dec;53(6):1526-32. doi: 10.1021/np50072a020. [PubMed:2089121 ]
LOTUS database [Link]

Showing NP-Card for [(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid (NP0283947)

MOL for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)

3D MOL for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)

3D SDF for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)

3D-SDF for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)

PDB for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)

3D PDB for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)

SMILES for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)

INCHI for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)

Structure for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)

3D Structure for NP0283947 ([(1s,2s,3r,6s,8r,9r,10r,11r,12s,13r)-8-acetyl-3-{[(2e)-3,4-dimethylpent-2-enoyl]oxy}-11,12-dihydroxy-13-(methoxycarbonyl)-9-methyl-4-oxo-14-oxatetracyclo[8.5.0.0¹,⁶.0²,¹³]pentadecan-9-yl]acetic acid)