NP-MRD: Showing NP-Card for Tournefolic acid B (NP0080921)

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Record Information

Version

2.0

Created at

2022-04-29 01:53:43 UTC

Updated at

2022-04-29 01:53:43 UTC

NP-MRD ID

NP0080921

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Tournefolic acid B

Description

TOURNEFOLIC ACID B, also known as tournefolate b, belongs to the class of organic compounds known as dibenzoxepines. Dibenzoxepines are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring. Tournefolic acid B is found in Tournefortia sarmentosa. Tournefolic acid B was first documented in 2005 (PMID: 15659238). Based on a literature review a small amount of articles have been published on TOURNEFOLIC ACID B (PMID: 30599897) (PMID: 18374914) (PMID: 16365280).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 37  0  0  0  0  0  0  0  0999 V2000
    4.4490    3.4595   -0.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828    2.2093   -0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7035    1.5762   -0.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2429    1.3908    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2967    0.1024    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2466   -0.8554    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5280   -2.1224    0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6089   -3.0961    0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060   -2.8834    0.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276   -3.8898    0.7648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0211   -1.6804   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9442   -0.6879   -0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7236    0.5443   -0.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4202    1.1793   -1.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7341    0.8267   -0.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5588    1.9015   -0.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8503    1.6655    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6955    2.7389    0.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2905    0.4090    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5958    0.2816    0.8769 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4451   -0.6553    0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1756   -0.4455   -0.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4004   -1.6298   -0.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9745    0.8073    0.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    1.9076    0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3178   -0.3274   -0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740   -2.2457    1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9138   -4.0393    1.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738   -3.7119    0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052    0.8789   -1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3860    2.0837   -1.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1939    2.8638   -0.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4636    3.6864   -0.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9999   -0.5921    1.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7936   -1.6503    0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  2  1  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 12  6  1  0
 22 15  1  0
 23 11  1  0
  3 24  1  0
  4 25  1  0
  5 26  1  0
  7 27  1  0
  8 28  1  0
 10 29  1  0
 13 30  1  0
 14 31  1  0
 16 32  1  0
 18 33  1  0
 20 34  1  0
 21 35  1  0
M  END


  Mrv1652304292203532D          

 23 25  0  0  0  0            999 V2000
    6.1237    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9401    1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1517    1.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5470    1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7305    0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5189    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162   -0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3912   -0.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    0.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604    1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8037    1.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    1.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6673    1.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    0.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0884    0.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049   -0.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165   -0.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329   -1.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1446   -1.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377   -2.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392    2.7028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448    2.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9120    0.6078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  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  2  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 12 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0080921

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)\C=C\C1=CC=C(O)C2=C1C=CC1=CC(O)=C(O)C=C1O2

> <INCHI_IDENTIFIER>
InChI=1S/C17H12O6/c18-12-5-2-9(3-6-16(21)22)11-4-1-10-7-13(19)14(20)8-15(10)23-17(11)12/h1-8,18-20H,(H,21,22)/b6-3+

> <INCHI_KEY>
QOUSSKPKMYDXFC-ZZXKWVIFSA-N

> <FORMULA>
C17H12O6

> <MOLECULAR_WEIGHT>
312.277

> <EXACT_MASS>
312.063388106

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
30.831308405028267

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-3-{4,13,14-trihydroxy-2-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-7-yl}prop-2-enoic acid

> <ALOGPS_LOGP>
2.77

> <JCHEM_LOGP>
3.092272697333333

> <ALOGPS_LOGS>
-3.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.373318455440875

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3415276051885976

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7466275495971115

> <JCHEM_POLAR_SURFACE_AREA>
107.22000000000001

> <JCHEM_REFRACTIVITY>
84.6402

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.36e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-{4,13,14-trihydroxy-2-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-7-yl}prop-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0      11.431   1.588   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      11.088   3.090   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.617   3.544   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.488   2.496   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.830   0.995   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.302   0.541   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.870  -0.209   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.330  -0.209   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.370   0.995   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.713   2.496   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.100   3.165   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.584   3.544   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.112   3.090   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.770   1.588   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.898   0.541   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.556  -0.960   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.084  -1.414   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.741  -2.916   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.270  -3.370   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.870  -3.963   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.926   5.045   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      12.217   4.137   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      12.902   1.135   0.000  0.00  0.00           O+0
CONECT    1    2    6   23                                                  
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    4                                                       
CONECT   12   10   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14    9   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   12                                                            
CONECT   22    2                                                            
CONECT   23    1                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
TOURNEFOLate b	Generator
3-(4,7,8-Trihydroxydibenzo(b,F)oxepin-1-yl)acrylic acid	MeSH

Chemical Formula

C₁₇H₁₂O₆

Average Mass

312.2770 Da

Monoisotopic Mass

312.06339 Da

IUPAC Name

(2E)-3-{4,13,14-trihydroxy-2-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-7-yl}prop-2-enoic acid

Traditional Name

(2E)-3-{4,13,14-trihydroxy-2-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-7-yl}prop-2-enoic acid

CAS Registry Number

Not Available

SMILES

OC(=O)\C=C\C1=CC=C(O)C2=C1C=CC1=CC(O)=C(O)C=C1O2

InChI Identifier

InChI=1S/C17H12O6/c18-12-5-2-9(3-6-16(21)22)11-4-1-10-7-13(19)14(20)8-15(10)23-17(11)12/h1-8,18-20H,(H,21,22)/b6-3+

InChI Key

QOUSSKPKMYDXFC-ZZXKWVIFSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Tournefortia sarmentosa	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dibenzoxepines. Dibenzoxepines are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzoxepines

Sub Class

Dibenzoxepines

Direct Parent

Dibenzoxepines

Alternative Parents

Substituents

Dibenzoxepine
Cinnamic acid
Cinnamic acid or derivatives
Coumaric acid or derivatives
Diaryl ether
Styrene
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocarboxylic acid or derivatives
Ether
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Polyol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
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	2.77	ALOGPS
logP	3.09	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	3.34	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	107.22 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	84.64 m³·mol⁻¹	ChemAxon
Polarizability	30.83 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00046469

Chemspider ID

8193963

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10018390

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yu Y, Xing N, Xu X, Zhu Y, Wang S, Sun G, Sun X: Tournefolic acid B, derived from Clinopodium chinense (Benth.) Kuntze, protects against myocardial ischemia/reperfusion injury by inhibiting endoplasmic reticulum stress-regulated apoptosis via PI3K/AKT pathways. Phytomedicine. 2019 Jan;52:178-186. doi: 10.1016/j.phymed.2018.09.168. Epub 2018 Oct 2. [PubMed:30599897 ]
Chi CW, Lin YL, Wang YH, Chen CF, Wang CN, Shiao YJ: Tournefolic acid B attenuates amyloid beta protein-mediated toxicity by abrogating the calcium overload in mitochondria and retarding the caspase 8-truncated Bid-cytochrome c pathway in rat cortical neurons. Eur J Pharmacol. 2008 May 31;586(1-3):35-43. doi: 10.1016/j.ejphar.2008.02.058. Epub 2008 Feb 29. [PubMed:18374914 ]
Wang CN, Pan HC, Lin YL, Chi CW, Shiao YJ: Ester derivatives of tournefolic acid B attenuate N-methyl-D-aspartate-mediated excitotoxicity in rat cortical neurons. Mol Pharmacol. 2006 Mar;69(3):950-9. doi: 10.1124/mol.105.018770. Epub 2005 Dec 19. [PubMed:16365280 ]
Chi CW, Wang CN, Lin YL, Chen CF, Shiao YJ: Tournefolic acid B methyl ester attenuates glutamate-induced toxicity by blockade of ROS accumulation and abrogating the activation of caspases and JNK in rat cortical neurons. J Neurochem. 2005 Feb;92(3):692-700. doi: 10.1111/j.1471-4159.2004.02912.x. [PubMed:15659238 ]

Showing NP-Card for Tournefolic acid B (NP0080921)

MOL for NP0080921 (Tournefolic acid B)

3D MOL for NP0080921 (Tournefolic acid B)

3D SDF for NP0080921 (Tournefolic acid B)

3D-SDF for NP0080921 (Tournefolic acid B)

PDB for NP0080921 (Tournefolic acid B)

3D PDB for NP0080921 (Tournefolic acid B)

SMILES for NP0080921 (Tournefolic acid B)

INCHI for NP0080921 (Tournefolic acid B)

Structure for NP0080921 (Tournefolic acid B)

3D Structure for NP0080921 (Tournefolic acid B)