Showing NP-Card for 6''-Caffeoylisoorientin (NP0335758)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2024-09-11 03:05:36 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2024-09-11 03:05:36 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0335758 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | 6''-Caffeoylisoorientin | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0335758 (6''-Caffeoylisoorientin)Mrv2104 05262305372D 44 48 0 0 0 0 999 V2000 9.2881 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 2 2 0 0 0 0 12 1 1 0 0 0 0 12 2 1 0 0 0 0 12 7 2 0 0 0 0 13 3 1 0 0 0 0 13 8 2 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 7 1 0 0 0 0 16 14 2 0 0 0 0 17 8 1 0 0 0 0 17 15 2 0 0 0 0 18 9 1 0 0 0 0 19 10 2 0 0 0 0 20 9 2 0 0 0 0 20 13 1 0 0 0 0 21 10 1 0 0 0 0 22 11 1 0 0 0 0 23 6 1 0 0 0 0 24 18 1 0 0 0 0 24 21 2 0 0 0 0 25 19 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 28 1 0 0 0 0 30 25 1 0 0 0 0 30 29 1 0 0 0 0 31 14 1 0 0 0 0 32 15 1 0 0 0 0 33 16 1 0 0 0 0 34 17 1 0 0 0 0 35 18 2 0 0 0 0 36 19 1 0 0 0 0 37 23 2 0 0 0 0 38 26 1 0 0 0 0 39 27 1 0 0 0 0 40 28 1 0 0 0 0 41 29 1 0 0 0 0 42 11 1 0 0 0 0 42 23 1 0 0 0 0 43 20 1 0 0 0 0 43 21 1 0 0 0 0 44 22 1 0 0 0 0 44 30 1 0 0 0 0 M END 3D SDF for NP0335758 (6''-Caffeoylisoorientin)Mrv2104 05262305372D 44 48 0 0 0 0 999 V2000 9.2881 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 2 2 0 0 0 0 12 1 1 0 0 0 0 12 2 1 0 0 0 0 12 7 2 0 0 0 0 13 3 1 0 0 0 0 13 8 2 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 7 1 0 0 0 0 16 14 2 0 0 0 0 17 8 1 0 0 0 0 17 15 2 0 0 0 0 18 9 1 0 0 0 0 19 10 2 0 0 0 0 20 9 2 0 0 0 0 20 13 1 0 0 0 0 21 10 1 0 0 0 0 22 11 1 0 0 0 0 23 6 1 0 0 0 0 24 18 1 0 0 0 0 24 21 2 0 0 0 0 25 19 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 28 1 0 0 0 0 30 25 1 0 0 0 0 30 29 1 0 0 0 0 31 14 1 0 0 0 0 32 15 1 0 0 0 0 33 16 1 0 0 0 0 34 17 1 0 0 0 0 35 18 2 0 0 0 0 36 19 1 0 0 0 0 37 23 2 0 0 0 0 38 26 1 0 0 0 0 39 27 1 0 0 0 0 40 28 1 0 0 0 0 41 29 1 0 0 0 0 42 11 1 0 0 0 0 42 23 1 0 0 0 0 43 20 1 0 0 0 0 43 21 1 0 0 0 0 44 22 1 0 0 0 0 44 30 1 0 0 0 0 M END > <DATABASE_ID> NP0335758 > <DATABASE_NAME> NP-MRD > <SMILES> OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O > <INCHI_IDENTIFIER> InChI=1/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+ > <INCHI_KEY> AINXWDZMEIYUSK-QHHAFSJGNA-N > <FORMULA> C30H26O14 > <MOLECULAR_WEIGHT> 610.524 > <EXACT_MASS> 610.132255517 > <JCHEM_ACCEPTOR_COUNT> 13 > <JCHEM_ATOM_COUNT> 70 > <JCHEM_AVERAGE_POLARIZABILITY> 60.058364030218094 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 9 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> {6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate > <JCHEM_LOGP> 2.0725629816666666 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 7.697170446368129 > <JCHEM_PKA_STRONGEST_ACIDIC> 6.137235823306996 > <JCHEM_PKA_STRONGEST_BASIC> -3.6491455881695116 > <JCHEM_POLAR_SURFACE_AREA> 243.89999999999995 > <JCHEM_REFRACTIVITY> 151.54260000000005 > <JCHEM_ROTATABLE_BOND_COUNT> 7 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> {6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0335758 (6''-Caffeoylisoorientin)HEADER PROTEIN 26-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAY-23 0 HETATM 1 C UNK 0 17.338 3.850 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 14.671 3.850 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -4.001 2.310 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 18.672 4.620 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.335 1.540 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 13.337 4.620 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 16.004 6.160 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.667 0.000 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.334 3.850 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 2.667 1.540 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 9.336 3.850 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 16.004 4.620 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -2.667 1.540 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 18.672 6.160 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.335 0.000 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 17.338 6.930 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 0.000 4.620 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.334 2.310 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 1.334 2.310 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 8.002 4.620 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 12.003 3.850 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 1.334 3.850 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 4.001 3.850 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 8.002 6.160 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 2.667 4.620 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 6.668 6.930 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 5.335 6.160 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 5.335 4.620 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 20.005 6.930 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 -6.668 -0.770 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 17.338 8.470 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 -4.001 -2.310 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 0.000 6.160 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 5.335 1.540 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 12.003 2.310 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 9.336 6.930 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 2.667 6.160 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 6.668 8.470 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 4.001 6.930 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 10.669 4.620 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 0.000 1.540 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 6.668 3.850 0.000 0.00 0.00 O+0 CONECT 1 4 12 CONECT 2 6 12 CONECT 3 5 13 CONECT 4 1 14 CONECT 5 3 15 CONECT 6 2 23 CONECT 7 12 16 CONECT 8 13 17 CONECT 9 18 20 CONECT 10 19 21 CONECT 11 22 42 CONECT 12 1 2 7 CONECT 13 3 8 20 CONECT 14 4 16 31 CONECT 15 5 17 32 CONECT 16 7 14 33 CONECT 17 8 15 34 CONECT 18 9 24 35 CONECT 19 10 25 36 CONECT 20 9 13 43 CONECT 21 10 24 43 CONECT 22 11 26 44 CONECT 23 6 37 42 CONECT 24 18 21 27 CONECT 25 19 27 30 CONECT 26 22 28 38 CONECT 27 24 25 39 CONECT 28 26 29 40 CONECT 29 28 30 41 CONECT 30 25 29 44 CONECT 31 14 CONECT 32 15 CONECT 33 16 CONECT 34 17 CONECT 35 18 CONECT 36 19 CONECT 37 23 CONECT 38 26 CONECT 39 27 CONECT 40 28 CONECT 41 29 CONECT 42 11 23 CONECT 43 20 21 CONECT 44 22 30 MASTER 0 0 0 0 0 0 0 0 44 0 96 0 END SMILES for NP0335758 (6''-Caffeoylisoorientin)OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O INCHI for NP0335758 (6''-Caffeoylisoorientin)InChI=1/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+ 3D Structure for NP0335758 (6''-Caffeoylisoorientin) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C30H26O14 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 610.5240 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 610.13226 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | {6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | {6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | OC1C(COC(=O)\C=C\C2=CC(O)=C(O)C=C2)OC(C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+ | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | AINXWDZMEIYUSK-QHHAFSJGNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
General References | Not Available |