Showing NP-Card for Galangin 3-[galactosyl-(1->4)-rhamnoside] (NP0336603)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2024-09-11 07:02:34 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2024-09-11 07:02:34 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0336603 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Galangin 3-[galactosyl-(1->4)-rhamnoside] | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Based on a literature review very few articles have been published on Galangin 3-[galactosyl-(1->4)-rhamnoside]. | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0336603 (Galangin 3-[galactosyl-(1->4)-rhamnoside])Mrv2104 05262309342D 41 45 0 0 0 0 999 V2000 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 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 3.5724 -0.4125 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 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 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 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 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -6.6000 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 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 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 2.1434 -1.2375 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 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 10 1 1 0 0 0 0 11 5 2 0 0 0 0 11 6 1 0 0 0 0 12 7 2 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 8 2 0 0 0 0 15 9 1 0 0 0 0 16 13 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 10 1 0 0 0 0 23 20 1 0 0 0 0 24 11 1 0 0 0 0 25 18 1 0 0 0 0 25 24 2 0 0 0 0 26 22 1 0 0 0 0 27 21 1 0 0 0 0 28 9 1 0 0 0 0 29 12 1 0 0 0 0 30 13 1 0 0 0 0 31 17 1 0 0 0 0 32 18 2 0 0 0 0 33 19 1 0 0 0 0 34 20 1 0 0 0 0 35 21 1 0 0 0 0 36 22 1 0 0 0 0 37 10 1 0 0 0 0 37 26 1 0 0 0 0 38 14 1 0 0 0 0 38 24 1 0 0 0 0 39 15 1 0 0 0 0 39 27 1 0 0 0 0 40 23 1 0 0 0 0 40 27 1 0 0 0 0 41 25 1 0 0 0 0 41 26 1 0 0 0 0 M END 3D SDF for NP0336603 (Galangin 3-[galactosyl-(1->4)-rhamnoside])Mrv2104 05262309342D 41 45 0 0 0 0 999 V2000 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 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 3.5724 -0.4125 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 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 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.3625 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 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -6.6000 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 2.1434 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 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 2.1434 -1.2375 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 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 10 1 1 0 0 0 0 11 5 2 0 0 0 0 11 6 1 0 0 0 0 12 7 2 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 8 2 0 0 0 0 15 9 1 0 0 0 0 16 13 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 10 1 0 0 0 0 23 20 1 0 0 0 0 24 11 1 0 0 0 0 25 18 1 0 0 0 0 25 24 2 0 0 0 0 26 22 1 0 0 0 0 27 21 1 0 0 0 0 28 9 1 0 0 0 0 29 12 1 0 0 0 0 30 13 1 0 0 0 0 31 17 1 0 0 0 0 32 18 2 0 0 0 0 33 19 1 0 0 0 0 34 20 1 0 0 0 0 35 21 1 0 0 0 0 36 22 1 0 0 0 0 37 10 1 0 0 0 0 37 26 1 0 0 0 0 38 14 1 0 0 0 0 38 24 1 0 0 0 0 39 15 1 0 0 0 0 39 27 1 0 0 0 0 40 23 1 0 0 0 0 40 27 1 0 0 0 0 41 25 1 0 0 0 0 41 26 1 0 0 0 0 M END > <DATABASE_ID> NP0336603 > <DATABASE_NAME> NP-MRD > <SMILES> CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O > <INCHI_IDENTIFIER> InChI=1/C27H30O14/c1-10-23(40-27-21(35)19(33)17(31)15(9-28)39-27)20(34)22(36)26(37-10)41-25-18(32)16-13(30)7-12(29)8-14(16)38-24(25)11-5-3-2-4-6-11/h2-8,10,15,17,19-23,26-31,33-36H,9H2,1H3 > <INCHI_KEY> OUUQNKHDCPSYJE-UHFFFAOYNA-N > <FORMULA> C27H30O14 > <MOLECULAR_WEIGHT> 578.523 > <EXACT_MASS> 578.163555646 > <JCHEM_ACCEPTOR_COUNT> 14 > <JCHEM_ATOM_COUNT> 71 > <JCHEM_AVERAGE_POLARIZABILITY> 55.247014382935994 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 8 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-phenyl-4H-chromen-4-one > <JCHEM_LOGP> -0.2616303316666658 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 7.970015834458153 > <JCHEM_PKA_STRONGEST_ACIDIC> 6.3753007516063835 > <JCHEM_PKA_STRONGEST_BASIC> -2.9810835652577543 > <JCHEM_POLAR_SURFACE_AREA> 225.05999999999995 > <JCHEM_REFRACTIVITY> 136.18329999999997 > <JCHEM_ROTATABLE_BOND_COUNT> 6 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> 3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-phenylchromen-4-one > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0336603 (Galangin 3-[galactosyl-(1->4)-rhamnoside])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 2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 8.002 0.000 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 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 0.000 -9.240 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 0.000 -3.080 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 1.334 -10.010 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 1.334 -11.550 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 2.667 -12.320 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 4.001 -11.550 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 6.668 -5.390 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 5.335 -4.620 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 4.001 -10.010 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 -1.334 -10.010 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 -2.667 0.000 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 0.000 -4.620 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 0.000 -12.320 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 2.667 -4.620 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 2.667 -13.860 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 8.002 -7.700 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 5.335 -12.320 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 8.002 -4.620 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 2.667 0.000 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 2.667 -9.240 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 5.335 -9.240 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 5.335 -3.080 0.000 0.00 0.00 O+0 CONECT 1 10 CONECT 2 3 4 CONECT 3 2 5 CONECT 4 2 6 CONECT 5 3 11 CONECT 6 4 11 CONECT 7 12 13 CONECT 8 12 14 CONECT 9 15 28 CONECT 10 1 23 37 CONECT 11 5 6 24 CONECT 12 7 8 29 CONECT 13 7 16 30 CONECT 14 8 16 38 CONECT 15 9 17 39 CONECT 16 13 14 18 CONECT 17 15 19 31 CONECT 18 16 25 32 CONECT 19 17 21 33 CONECT 20 22 23 34 CONECT 21 19 27 35 CONECT 22 20 26 36 CONECT 23 10 20 40 CONECT 24 11 25 38 CONECT 25 18 24 41 CONECT 26 22 37 41 CONECT 27 21 39 40 CONECT 28 9 CONECT 29 12 CONECT 30 13 CONECT 31 17 CONECT 32 18 CONECT 33 19 CONECT 34 20 CONECT 35 21 CONECT 36 22 CONECT 37 10 26 CONECT 38 14 24 CONECT 39 15 27 CONECT 40 23 27 CONECT 41 25 26 MASTER 0 0 0 0 0 0 0 0 41 0 90 0 END SMILES for NP0336603 (Galangin 3-[galactosyl-(1->4)-rhamnoside])CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O INCHI for NP0336603 (Galangin 3-[galactosyl-(1->4)-rhamnoside])InChI=1/C27H30O14/c1-10-23(40-27-21(35)19(33)17(31)15(9-28)39-27)20(34)22(36)26(37-10)41-25-18(32)16-13(30)7-12(29)8-14(16)38-24(25)11-5-3-2-4-6-11/h2-8,10,15,17,19-23,26-31,33-36H,9H2,1H3 3D Structure for NP0336603 (Galangin 3-[galactosyl-(1->4)-rhamnoside]) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C27H30O14 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 578.5230 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 578.16356 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-phenyl-4H-chromen-4-one | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 3-[(3,4-dihydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5,7-dihydroxy-2-phenylchromen-4-one | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=CC=C2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1/C27H30O14/c1-10-23(40-27-21(35)19(33)17(31)15(9-28)39-27)20(34)22(36)26(37-10)41-25-18(32)16-13(30)7-12(29)8-14(16)38-24(25)11-5-3-2-4-6-11/h2-8,10,15,17,19-23,26-31,33-36H,9H2,1H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | OUUQNKHDCPSYJE-UHFFFAOYNA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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 |