NP-MRD: Showing NP-Card for 6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid (NP0291675)

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Record Information

Version

1.0

Created at

2022-09-09 22:51:34 UTC

Updated at

2022-09-09 22:51:34 UTC

NP-MRD ID

NP0291675

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid

Description

6A,9-dihydroxy-4,7,10a-trimethyl-2-oxo-6a,7,8,9,10,10a-hexahydro-2H-1-benzoxocine-7-carboxylic acid belongs to the class of organic compounds known as abscisic acids and derivatives. These are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety. 6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid is found in Prunus dulcis. 6A,9-dihydroxy-4,7,10a-trimethyl-2-oxo-6a,7,8,9,10,10a-hexahydro-2H-1-benzoxocine-7-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 42  0  0  0  0  0  0  0  0999 V2000
    4.5009   -0.9056    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1891   -0.2351    0.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753    0.9718    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9874    1.9724    0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2535    2.8859    1.6741 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7839    2.0311    0.2191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1752    1.1784   -0.4308 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2109    1.1765   -1.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4979    1.8756   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6981    1.0953   -0.6087 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7299    1.4570    0.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -0.3805   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4525   -0.8896    0.2841 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9976   -0.6828    1.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -2.3591    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -3.1684    1.0865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3766   -2.9880   -1.1395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1502   -0.2165    0.1483 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3666   -0.0310    1.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8673   -1.0175   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2164   -1.0135   -0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747   -1.5191   -0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818   -0.1559    0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173   -1.5736    1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9858    1.2439    1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3189    2.0287   -2.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    0.2261   -2.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3047    1.3916   -2.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699    2.7727   -0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5555    2.2745    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1087    1.3899   -1.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4659    2.1706    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5050   -0.8334   -0.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -0.7826   -1.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7203    0.3000    2.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0696   -0.9015    1.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -1.4756    2.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1789   -2.8815   -1.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4709   -0.9579    1.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5027   -1.7442   -1.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6890   -1.7292   -1.1987 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  6
 15 17  1  0
 15 16  2  0
 13 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  2  0
 21  2  1  0
 18  7  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  8 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  6
 11 32  1  0
 12 33  1  0
 12 34  1  0
 14 35  1  0
 14 36  1  0
 14 37  1  0
 17 38  1  0
 19 39  1  0
 20 40  1  0
 21 41  1  0
M  END


  Mrv1533004241506032D          

 21 22  0  0  0  0            999 V2000
    5.6736    2.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114    2.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9114    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3281    0.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6438   -0.1362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031    0.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120    0.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2053    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908    1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7763    0.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908    2.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2053    2.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7356    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6750    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    2.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9571    3.8541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9197    2.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0701    2.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031    2.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3281    2.6178    0.0000 C   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  4  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 18  1  4  0  0  0
 20 21  2  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0291675

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(=O)OC2(C)CC(O)CC(C)(C(O)=O)C2(O)C=C1

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

> <INCHI_KEY>
QWZLQURLJIKCMW-UHFFFAOYSA-N

> <FORMULA>
C15H20O6

> <MOLECULAR_WEIGHT>
296.319

> <EXACT_MASS>
296.125988364

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
29.12031146057314

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-6a,7,8,9,10,10a-hexahydro-2H-1-benzoxocine-7-carboxylic acid

> <ALOGPS_LOGP>
0.04

> <JCHEM_LOGP>
0.7110585826666674

> <ALOGPS_LOGS>
-1.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.939487210377433

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.155974588958769

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7478570510289835

> <JCHEM_POLAR_SURFACE_AREA>
104.06

> <JCHEM_REFRACTIVITY>
74.96430000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8H-1-benzoxocine-7-carboxylic acid

> <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      10.591   4.387   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.168   3.798   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.168   2.258   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.079   1.169   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       8.668  -0.254   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       6.539   1.169   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.450   2.258   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.249   0.731   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.116   1.488   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.783   2.258   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.449   1.488   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.783   3.798   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.116   4.568   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.106   5.747   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.127   5.747   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.610   5.480   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       3.653   7.194   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       5.450   3.798   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       5.731   5.312   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.539   4.886   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.079   4.886   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9   18                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15   18                                             
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13    7   19   20                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20    2                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Value	Source
6a,9-Dihydroxy-4,7,10a-trimethyl-2-oxo-6a,7,8,9,10,10a-hexahydro-2H-1-benzoxocine-7-carboxylate	Generator

Chemical Formula

C₁₅H₂₀O₆

Average Mass

296.3190 Da

Monoisotopic Mass

296.12599 Da

IUPAC Name

6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-6a,7,8,9,10,10a-hexahydro-2H-1-benzoxocine-7-carboxylic acid

Traditional Name

6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8H-1-benzoxocine-7-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC1=CC(=O)OC2(C)CC(O)CC(C)(C(O)=O)C2(O)C=C1

InChI Identifier

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

InChI Key

QWZLQURLJIKCMW-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
Prunus dulcis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as abscisic acids and derivatives. These are terpene compounds containing the abscisic acid moiety, which is characterized by a 3-methylpenta-2,4-dienoic acid attached to the C1 carbon of a 4-oxocyclohex-2-ene moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Abscisic acids and derivatives

Alternative Parents

Substituents

Abscisic acid
Terpene lactone
Oxocin
Dicarboxylic acid or derivatives
Cyclic alcohol
Tertiary alcohol
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
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	0.04	ALOGPS
logP	0.71	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	4.16	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	104.06 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	74.96 m³·mol⁻¹	ChemAxon
Polarizability	29.12 Å³	ChemAxon
Number of Rings	2	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

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

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References

General References

LOTUS database [Link]

Showing NP-Card for 6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid (NP0291675)

MOL for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)

3D MOL for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)

3D SDF for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)

3D-SDF for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)

PDB for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)

3D PDB for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)

SMILES for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)

INCHI for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)

Structure for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)

3D Structure for NP0291675 (6a,9-dihydroxy-4,7,10a-trimethyl-2-oxo-9,10-dihydro-8h-1-benzoxocine-7-carboxylic acid)