NP-MRD: Showing NP-Card for (2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one (NP0282712)

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Record Information

Version

2.0

Created at

2022-09-09 09:39:33 UTC

Updated at

2022-09-09 09:39:33 UTC

NP-MRD ID

NP0282712

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one

Description

8,10,11-Trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-5-one belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. (2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one is found in Pseudelephantopus spicatus. 8,10,11-Trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]Tetradeca-2,6-dien-5-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
   -0.9574   -2.2936    1.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328   -1.8261    0.1958 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5458   -2.8665   -0.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957   -1.3596   -0.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1485   -0.6849    0.7235 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1025   -1.5753    1.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7575    0.5846    0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300    0.6883   -0.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475   -0.3035   -0.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1270   -0.3071   -2.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0979    2.1148   -0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0800    2.6568   -1.3204 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9754    2.7884   -0.2785 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973    1.8508    0.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    2.1170    0.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3628    1.4773    0.5098 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5240    2.3573    1.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5865    1.3416   -0.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -0.0300   -1.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0173   -0.6501    0.1901 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2450   -1.1615    0.6261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5755    0.2584    1.0883 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603   -2.8668    1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0247   -1.4063    2.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8947   -2.8617    1.8223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5136   -2.9163   -0.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -0.6958   -1.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8195   -2.2809   -0.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906   -0.3729    1.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9998   -2.4381    0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701   -0.0417   -0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551   -1.3278   -0.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9399   -0.8825   -2.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1200    2.8830    1.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5678    3.3035    0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4421    1.7465    0.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3222    2.5019    2.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6463    1.5175   -1.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3129    2.0890   -1.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2300    0.0303   -1.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754   -0.6128   -1.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820   -0.5451    0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  1
 20 22  1  0
 20  2  1  0
  2  1  1  0
  2  3  1  6
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 22 16  1  0
 14  7  1  0
 15 16  1  0
 17 35  1  0
 17 36  1  0
 17 37  1  0
 18 38  1  0
 18 39  1  0
 19 40  1  0
 19 41  1  0
 21 42  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  1
  6 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 15 34  1  0
M  END


  Mrv1533004181501552D          

 22 24  0  0  0  0            999 V2000
    1.4517   -1.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820   -0.3044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5666   -0.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1022   -0.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8176    0.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4295   -0.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    0.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9752    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861   -0.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111   -0.0340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    1.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1198    1.6059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7006    1.9896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9852    1.5787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3733    2.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5530    2.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3833    3.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376    1.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5004    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701    0.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0453   -0.1619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3580    1.1243    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0282712

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC12CCC(O)(O1)C(C)(O)CC(O)C1=C(CO)C(=O)O\C1=C\2

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O7/c1-13-3-4-15(20,22-13)14(2,19)5-9(17)11-8(7-16)12(18)21-10(11)6-13/h6,9,16-17,19-20H,3-5,7H2,1-2H3/b10-6+

> <INCHI_KEY>
DFVXZXVMGOXJCF-UXBLZVDNSA-N

> <FORMULA>
C15H20O7

> <MOLECULAR_WEIGHT>
312.318

> <EXACT_MASS>
312.120902984

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
30.52807934864008

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one

> <ALOGPS_LOGP>
-0.54

> <JCHEM_LOGP>
-1.4308524406666667

> <ALOGPS_LOGS>
-1.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.689831459519826

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.97254613702291

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8739801682036843

> <JCHEM_POLAR_SURFACE_AREA>
116.45

> <JCHEM_REFRACTIVITY>
76.6626

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.01e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-APR-15         0                                  
HETATM    1  C   UNK     0       2.710  -2.075   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.393  -0.568   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.058  -1.335   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       3.924  -0.733   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.260   0.034   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.402  -0.999   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.889   1.440   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.420   1.275   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.187  -0.060   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.727  -0.063   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.050   2.681   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       9.557   2.998   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       6.908   3.714   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.572   2.947   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.430   3.980   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.899   4.144   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.582   5.651   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.564   3.377   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.934   1.972   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.251   0.465   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.085  -0.302   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.535   2.099   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4   20                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   14                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13    7   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18   22                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19    2   21   22                                             
CONECT   21   20                                                            
CONECT   22   20   16                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀O₇

Average Mass

312.3180 Da

Monoisotopic Mass

312.12090 Da

IUPAC Name

8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one

Traditional Name

8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one

CAS Registry Number

Not Available

SMILES

CC12CCC(O)(O1)C(C)(O)CC(O)C1=C(CO)C(=O)O\C1=C\2

InChI Identifier

InChI=1S/C15H20O7/c1-13-3-4-15(20,22-13)14(2,19)5-9(17)11-8(7-16)12(18)21-10(11)6-13/h6,9,16-17,19-20H,3-5,7H2,1-2H3/b10-6+

InChI Key

DFVXZXVMGOXJCF-UXBLZVDNSA-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
Pseudelephantopus spicatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Dihydrofurans

Sub Class

Furanones

Direct Parent

Butenolides

Alternative Parents

Substituents

2-furanone
Enol ester
Tertiary alcohol
Tetrahydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Hemiacetal
Lactone
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Oxacycle
Organooxygen compound
Organic oxygen compound
Organic oxide
Alcohol
Primary alcohol
Carbonyl group
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
logP	-0.54	ALOGPS
logP	-1.4	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	10.97	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	116.45 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	76.66 m³·mol⁻¹	ChemAxon
Polarizability	30.53 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

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Phenol Explorer Compound ID

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FoodDB ID

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KNApSAcK ID

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

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PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for (2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one (NP0282712)

MOL for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)

3D MOL for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)

3D SDF for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)

3D-SDF for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)

PDB for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)

3D PDB for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)

SMILES for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)

INCHI for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)

Structure for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)

3D Structure for NP0282712 ((2e)-8,10,11-trihydroxy-6-(hydroxymethyl)-1,10-dimethyl-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-5-one)