NP-MRD: Showing NP-Card for 9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione (NP0266596)

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Record Information

Version

2.0

Created at

2022-09-08 10:59:27 UTC

Updated at

2022-09-08 10:59:27 UTC

NP-MRD ID

NP0266596

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione

Description

9-(Hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. 9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione is found in Lactuca indica. 9-(Hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241506572D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004241506572D          

 39 44  0  0  0  0            999 V2000
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    0.9461   -1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5541    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8656    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3265    0.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1204   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9157   -0.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9527    0.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6412    0.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8305   -1.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3545   -2.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6417    1.7897    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 21 32  1  0  0  0  0
 26 32  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 24 35  1  0  0  0  0
 35 36  2  0  0  0  0
 33 37  1  0  0  0  0
 37 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0266596

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2C(OC1=O)C1C(CO)=CC(=O)C1=C(C)CC2OC1CC(C)=C2C(C3OC(=O)C(=C)C13)C(CO)=CC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H32O9/c1-11-5-19(23-13(3)29(35)38-27(23)25-15(9-31)7-17(33)21(11)25)37-20-6-12(2)22-18(34)8-16(10-32)26(22)28-24(20)14(4)30(36)39-28/h7-8,14,19-20,23-28,31-32H,3,5-6,9-10H2,1-2,4H3

> <INCHI_KEY>
AIGKJTXOWFMGLD-UHFFFAOYSA-N

> <FORMULA>
C30H32O9

> <MOLECULAR_WEIGHT>
536.577

> <EXACT_MASS>
536.20463261

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
54.826098165019175

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl]oxy}-3,6-dimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione

> <ALOGPS_LOGP>
1.32

> <JCHEM_LOGP>
0.984566628666669

> <ALOGPS_LOGS>
-3.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.466397121008395

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.824016516480334

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7605588253063758

> <JCHEM_POLAR_SURFACE_AREA>
136.43

> <JCHEM_REFRACTIVITY>
140.41670000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.22e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl]oxy}-3,6-dimethyl-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       0.649   3.651   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.014   5.147   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.439   5.731   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.711   4.864   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.183   5.317   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.745   6.751   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.975   8.085   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.452   8.314   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.324   7.267   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.827   7.632   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.018   6.322   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.518   6.207   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       3.200   9.833   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.567  10.543   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.664   9.462   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       7.183   9.714   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.823  10.522   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.538   9.674   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       7.281   6.866   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.482   3.341   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.686   2.381   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.073   3.049   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.461   2.381   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.803   0.879   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.843  -0.325   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.303  -0.325   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.455  -1.610   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.970  -1.200   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       1.766  -2.161   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.901   0.338   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.616   1.186   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.343   0.879   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.691  -1.610   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.176  -1.200   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.245   0.338   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      10.530   1.186   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       7.150  -3.052   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       8.128  -4.241   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       8.665   3.341   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   11                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5   20                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   19                                                  
CONECT    7    6    8   15                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8    3   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10    2   12                                                  
CONECT   12   11                                                            
CONECT   13    8   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14    7   16                                                  
CONECT   16   15                                                            
CONECT   17   13   18                                                       
CONECT   18   17                                                            
CONECT   19    6                                                            
CONECT   20    4   21                                                       
CONECT   21   20   22   32                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   39                                                  
CONECT   24   23   25   35                                                  
CONECT   25   24   26   33                                                  
CONECT   26   25   27   32                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   21   26                                                  
CONECT   33   25   34   37                                                  
CONECT   34   33   35                                                       
CONECT   35   34   24   36                                                  
CONECT   36   35                                                            
CONECT   37   33   38                                                       
CONECT   38   37                                                            
CONECT   39   23                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₂O₉

Average Mass

536.5770 Da

Monoisotopic Mass

536.20463 Da

IUPAC Name

9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl]oxy}-3,6-dimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione

Traditional Name

9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-6-methyl-3-methylidene-2,7-dioxo-3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-4-yl]oxy}-3,6-dimethyl-3H,3aH,4H,5H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione

CAS Registry Number

Not Available

SMILES

CC1C2C(OC1=O)C1C(CO)=CC(=O)C1=C(C)CC2OC1CC(C)=C2C(C3OC(=O)C(=C)C13)C(CO)=CC2=O

InChI Identifier

InChI=1S/C30H32O9/c1-11-5-19(23-13(3)29(35)38-27(23)25-15(9-31)7-17(33)21(11)25)37-20-6-12(2)22-18(34)8-16(10-32)26(22)28-24(20)14(4)30(36)39-28/h7-8,14,19-20,23-28,31-32H,3,5-6,9-10H2,1-2,4H3

InChI Key

AIGKJTXOWFMGLD-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
Lactuca indica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactones

Sub Class

Gamma butyrolactones

Direct Parent

Gamma butyrolactones

Alternative Parents

Substituents

Dicarboxylic acid or derivatives
Gamma butyrolactone
Oxolane
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Ketone
Ether
Dialkyl ether
Carboxylic acid derivative
Oxacycle
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Primary alcohol
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	1.32	ALOGPS
logP	0.98	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	12.82	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	136.43 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	140.42 m³·mol⁻¹	ChemAxon
Polarizability	54.83 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione (NP0266596)

MOL for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)

3D MOL for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)

3D SDF for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)

3D-SDF for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)

PDB for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)

3D PDB for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)

SMILES for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)

INCHI for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)

Structure for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)

3D Structure for NP0266596 (9-(hydroxymethyl)-4-{[9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl]oxy}-6-methyl-3-methylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione)