NP-MRD: Showing NP-Card for 6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate (NP0175481)

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Record Information

Version

2.0

Created at

2022-09-03 12:57:26 UTC

Updated at

2022-09-03 12:57:26 UTC

NP-MRD ID

NP0175481

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

6-Methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. 6-Methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251507432D          

 41 45  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1533004251507432D          

 41 45  0  0  0  0            999 V2000
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    3.0983   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222   -1.6752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3324   -2.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563   -3.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6702   -2.9497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5185   -2.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2286   -3.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945   -1.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1807   -2.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2844   -1.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  4  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
  4 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
  3 27  1  0  0  0  0
 27 28  2  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 31 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0175481

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)C=CC1=CC=CC=C1)C(COC1OC(CO)C(O)C(O)C1O)=CC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H32O11/c1-14-10-19(39-21(33)9-8-16-6-4-3-5-7-16)23-15(2)29(37)41-28(23)24-17(11-18(32)22(14)24)13-38-30-27(36)26(35)25(34)20(12-31)40-30/h3-9,11,19-20,23-28,30-31,34-36H,2,10,12-13H2,1H3

> <INCHI_KEY>
KPBHRTYOUQHBOW-UHFFFAOYSA-N

> <FORMULA>
C30H32O11

> <MOLECULAR_WEIGHT>
568.575

> <EXACT_MASS>
568.19446185

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
57.57846084651658

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.71

> <JCHEM_LOGP>
1.2453139526666663

> <ALOGPS_LOGS>
-3.53

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.813179202880008

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.13235994420471

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835523219152

> <JCHEM_POLAR_SURFACE_AREA>
169.04999999999998

> <JCHEM_REFRACTIVITY>
143.84610000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.67e-01 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0       6.861   7.086   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.657   6.126   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.999   4.625   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.039   3.421   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.499   3.421   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.651   2.136   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.166   2.545   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.038   1.585   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.097   4.084   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.188   4.932   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.539   4.625   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.882   6.126   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.269   6.794   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.678   7.086   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       1.907   8.609   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       3.341   9.172   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.703   9.569   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.730   9.007   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.934   9.967   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.368   9.404   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.572  10.365   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.342  11.887   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.909  12.450   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.705  11.490   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.888   2.136   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.372   2.545   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.441   4.084   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.726   4.932   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.346   0.694   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.325  -0.496   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.783  -1.938   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       6.762  -3.127   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       6.220  -4.569   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.198  -5.758   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       8.718  -5.506   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       4.701  -4.821   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       4.160  -6.263   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       3.723  -3.632   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.204  -3.884   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.264  -2.190   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       3.286  -1.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4   27                                                  
CONECT    4    3    5   25                                                  
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    5   12                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12    2                                                       
CONECT   14   12   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
CONECT   25    4   26   29                                                  
CONECT   26   25   27                                                       
CONECT   27   26    3   28                                                  
CONECT   28   27                                                            
CONECT   29   25   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   40                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   31   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

View in JSmol

Synonyms

Value	Source
6-Methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2H,3H,3ah,4H,5H,7H,9ah,9BH-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoic acid	Generator

Chemical Formula

C₃₀H₃₂O₁₁

Average Mass

568.5750 Da

Monoisotopic Mass

568.19446 Da

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

CC1=C2C(C3OC(=O)C(=C)C3C(C1)OC(=O)C=CC1=CC=CC=C1)C(COC1OC(CO)C(O)C(O)C1O)=CC2=O

InChI Identifier

InChI=1S/C30H32O11/c1-14-10-19(39-21(33)9-8-16-6-4-3-5-7-16)23-15(2)29(37)41-28(23)24-17(11-18(32)22(14)24)13-38-30-27(36)26(35)25(34)20(12-31)40-30/h3-9,11,19-20,23-28,30-31,34-36H,2,10,12-13H2,1H3

InChI Key

KPBHRTYOUQHBOW-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Cinnamic acid or derivatives
Hexose monosaccharide
Cinnamic acid ester
O-glycosyl compound
Styrene
Fatty acid ester
Fatty acyl
Monocyclic benzene moiety
Benzenoid
Dicarboxylic acid or derivatives
Gamma butyrolactone
Monosaccharide
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Lactone
Ketone
Carboxylic acid ester
Secondary alcohol
Oxacycle
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Polyol
Alcohol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Primary alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	0.71	ALOGPS
logP	1.25	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	12.13	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	169.05 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	143.85 m³·mol⁻¹	ChemAxon
Polarizability	57.58 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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 6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate (NP0175481)

MOL for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)

3D MOL for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)

3D SDF for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)

3D-SDF for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)

PDB for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)

3D PDB for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)

SMILES for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)

INCHI for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)

Structure for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)

3D Structure for NP0175481 (6-methyl-3-methylidene-2,7-dioxo-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-4-yl 3-phenylprop-2-enoate)