NP-MRD: Showing NP-Card for 2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione (NP0236941)

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Record Information

Version

2.0

Created at

2022-09-06 19:57:44 UTC

Updated at

2022-09-06 19:57:44 UTC

NP-MRD ID

NP0236941

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione

Description

Cyclocalopin A belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Cyclocalopin A is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Cyclocalopin A has been detected, but not quantified in, mushrooms. 2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione is found in Caloboletus calopus and Caloboletus rubripes. This could make cyclocalopin a a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
    3.6325   -2.0904    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004   -1.0227    0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155   -0.2942   -0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4322    0.7813   -1.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740    0.6323   -0.1134 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8487    0.4176    1.2257 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6096    1.5607    1.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7561   -0.7258    1.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8481   -1.4905    2.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6280   -0.4173   -0.6311 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6567    0.3896   -1.4120 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8508    1.4736   -0.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5510    1.8860   -0.2473 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5416    2.7488    0.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1298    2.6955   -1.3196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643   -0.4003   -1.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8051    0.1144   -2.3081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0251   -1.6918   -1.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0150   -2.3742   -0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3087   -1.2752    0.3572 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3607   -0.6293    1.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9080   -2.2807    1.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2457   -3.0446   -0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5284   -1.7275   -0.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407   -0.5068   -1.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8909    1.7931   -1.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744    0.7066   -2.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203    0.3029    2.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3295    1.3361    2.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170   -1.0710   -1.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601    0.7485   -2.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170    3.4476    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131    2.2001    1.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3539    3.4221    0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3409    3.6413   -1.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5196   -3.0918    0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272   -2.8235   -1.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5565   -1.8229    0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019    0.4059    1.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3878   -0.7144    0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311   -1.2092    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 16  1  0
 16 17  2  0
 16 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  6
 13  5  1  0
  5  4  1  6
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2  8  1  0
  8  9  2  0
  8  6  1  0
  6  7  1  0
  5 10  1  0
 10 20  1  0
 10 11  1  0
  6  5  1  0
 21 39  1  0
 21 40  1  0
 21 41  1  0
 20 38  1  1
 19 36  1  0
 19 37  1  0
 11 31  1  6
 14 32  1  0
 14 33  1  0
 14 34  1  0
 15 35  1  0
  4 26  1  0
  4 27  1  0
  3 25  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  6 28  1  1
  7 29  1  0
 10 30  1  6
M  END


  Mrv0541 02241215592D          

 21 23  0  0  0  0            999 V2000
   -2.0508   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0508   -1.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3372   -1.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6251   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6251   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3372    0.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588   -1.3434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6414   -0.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588   -0.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700    0.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    0.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6992    1.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1135    1.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3844    0.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3372   -2.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3372    0.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4389   -0.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564   -1.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7675   -0.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508    1.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9686    2.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0236941

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3O)C12

> <INCHI_IDENTIFIER>
InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3

> <INCHI_KEY>
OGOHSCJKRSLFLO-UHFFFAOYSA-N

> <FORMULA>
C15H20O6

> <MOLECULAR_WEIGHT>
296.3157

> <EXACT_MASS>
296.125988372

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
29.560640627807324

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2',6-dihydroxy-2',4,4'-trimethyl-2',3'a,4',5',7',7'a-hexahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione

> <ALOGPS_LOGP>
-0.27

> <JCHEM_LOGP>
0.6183836689999999

> <ALOGPS_LOGS>
-1.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.9076301227886

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.689887532801912

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7738944100816285

> <JCHEM_POLAR_SURFACE_AREA>
93.06

> <JCHEM_REFRACTIVITY>
72.71629999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.81e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -3.828  -0.493   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -3.828  -2.033   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.496  -2.803   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.167  -2.033   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.167  -0.493   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.496   0.275   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.296  -2.508   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.197  -1.263   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.296  -0.023   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.811   0.267   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.316   1.722   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.305   2.888   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.212   2.592   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.718   1.132   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.496  -4.343   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.496   1.815   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.686  -0.865   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.532  -2.033   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       3.299  -0.131   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.828   2.012   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.808   4.343   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   15                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6    9                                                  
CONECT    6    1    5   16                                                  
CONECT    7    4    8                                                       
CONECT    8    7    9   17   18                                             
CONECT    9    5    8   10   14                                             
CONECT   10    9   11   19                                                  
CONECT   11   10   12   20                                                  
CONECT   12   11   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14    9   13                                                       
CONECT   15    3                                                            
CONECT   16    6                                                            
CONECT   17    8                                                            
CONECT   18    8                                                            
CONECT   19   10                                                            
CONECT   20   11                                                            
CONECT   21   12                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₅H₂₀O₆

Average Mass

296.3157 Da

Monoisotopic Mass

296.12599 Da

IUPAC Name

2',6-dihydroxy-2',4,4'-trimethyl-2',3'a,4',5',7',7'a-hexahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione

Traditional Name

2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione

CAS Registry Number

Not Available

SMILES

CC1COC(=O)C2OC(C)(O)C3(CC=C(C)C(=O)C3O)C12

InChI Identifier

InChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3

InChI Key

OGOHSCJKRSLFLO-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
Caloboletus calopus	LOTUS Database	35616633
Caloboletus rubripes	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Furopyrans

Sub Class

Not Available

Direct Parent

Furopyrans

Alternative Parents

Substituents

Furopyran
Delta valerolactone
Cyclohexenone
Delta_valerolactone
Oxane
Pyran
Furan
Tetrahydrofuran
Carboxylic acid ester
Hemiacetal
Ketone
Lactone
Cyclic ketone
Secondary alcohol
Oxacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Alcohol
Organic oxygen compound
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	-0.27	ALOGPS
logP	0.62	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	11.69	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.06 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	72.72 m³·mol⁻¹	ChemAxon
Polarizability	29.56 Å³	ChemAxon
Number of Rings	3	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

HMDB0039810

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB019460

KNApSAcK ID

Not Available

Chemspider ID

24535988

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44631735

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione (NP0236941)

MOL for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)

3D MOL for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)

3D SDF for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)

3D-SDF for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)

PDB for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)

3D PDB for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)

SMILES for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)

INCHI for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)

Structure for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)

3D Structure for NP0236941 (2',6-dihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-ene-5,7'-dione)