Showing NP-Card for ε,ε-carotene-3-diol (NP0339766)
Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2024-09-11 23:26:45 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2024-09-11 23:26:46 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0339766 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | ε,ε-carotene-3-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Based on a literature review very few articles have been published on ε,ε-carotene-3-diol. | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0339766 (ε,ε-carotene-3-diol)Mrv2104 05272301582D 41 42 0 0 0 0 999 V2000 -7.8592 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 -11.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -11.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -4.1250 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 -10.7171 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8638 -2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3335 -3.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 4 0 0 0 3 4 2 0 0 0 0 5 4 1 4 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 8 6 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 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 10 17 1 0 0 0 0 2 19 2 0 0 0 0 19 20 1 4 0 0 0 20 21 2 0 0 0 0 21 22 1 4 0 0 0 22 23 2 0 0 0 0 23 24 1 4 0 0 0 25 23 1 4 0 0 0 25 26 2 0 0 0 0 27 26 1 4 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 30 28 1 4 0 0 0 30 31 2 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 33 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 32 38 1 0 0 0 0 36 41 1 0 0 0 0 M END 3D SDF for NP0339766 (ε,ε-carotene-3-diol)Mrv2104 05272301582D 41 42 0 0 0 0 999 V2000 -7.8592 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -10.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -11.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 -11.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -11.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -12.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -13.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8592 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2881 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0026 -4.1250 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 -10.7171 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4315 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5749 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8605 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1460 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8638 -2.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3335 -3.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 4 0 0 0 3 4 2 0 0 0 0 5 4 1 4 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 8 6 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 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 10 17 1 0 0 0 0 2 19 2 0 0 0 0 19 20 1 4 0 0 0 20 21 2 0 0 0 0 21 22 1 4 0 0 0 22 23 2 0 0 0 0 23 24 1 4 0 0 0 25 23 1 4 0 0 0 25 26 2 0 0 0 0 27 26 1 4 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 30 28 1 4 0 0 0 30 31 2 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 33 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 32 38 1 0 0 0 0 36 41 1 0 0 0 0 M END > <DATABASE_ID> NP0339766 > <DATABASE_NAME> NP-MRD > <SMILES> CC(C=CC=C(C)C=CC1C(C)=CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C > <INCHI_IDENTIFIER> InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,28,36-38,41H,15,27,29H2,1-10H3 > <INCHI_KEY> OYMLZZKQOAPEGO-UHFFFAOYNA-N > <FORMULA> C40H56O > <MOLECULAR_WEIGHT> 552.887 > <EXACT_MASS> 552.433116423 > <JCHEM_ACCEPTOR_COUNT> 1 > <JCHEM_ATOM_COUNT> 97 > <JCHEM_AVERAGE_POLARIZABILITY> 71.73902547491274 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 1 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol > <JCHEM_LOGP> 9.980585682333334 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_ACIDIC> 18.21727233987641 > <JCHEM_PKA_STRONGEST_BASIC> -1.3915650785380587 > <JCHEM_POLAR_SURFACE_AREA> 20.23 > <JCHEM_REFRACTIVITY> 193.66050000000007 > <JCHEM_ROTATABLE_BOND_COUNT> 10 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> 3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol > <JCHEM_VEBER_RULE> 1 $$$$ PDB for NP0339766 (ε,ε-carotene-3-diol)HEADER PROTEIN 27-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-MAY-23 0 HETATM 1 C UNK 0 -14.670 -19.250 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -13.337 -18.480 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -12.003 -19.250 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -12.003 -20.790 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -10.669 -21.560 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -10.669 -23.100 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -12.003 -23.870 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -9.336 -23.870 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -8.002 -23.100 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -6.668 -23.870 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.335 -23.100 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -6.325 -21.920 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -4.345 -21.920 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.001 -23.870 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -4.001 -25.410 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -5.335 -26.180 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.668 -25.410 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -8.002 -26.180 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -13.337 -16.940 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -14.670 -16.170 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -14.670 -14.630 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -16.004 -13.860 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -16.004 -12.320 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -14.670 -11.550 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -17.338 -11.550 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -17.338 -10.010 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -18.672 -9.240 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -18.672 -7.700 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -17.338 -6.930 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -20.005 -6.930 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -21.339 -7.700 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -22.673 -6.930 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -24.006 -7.700 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -24.006 -9.240 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -25.340 -6.930 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -25.340 -5.390 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -24.006 -4.620 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -22.673 -5.390 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -22.146 -3.943 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -21.156 -5.657 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 -26.674 -4.620 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 19 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 CONECT 10 9 11 17 CONECT 11 10 12 13 14 CONECT 12 11 CONECT 13 11 CONECT 14 11 15 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 18 10 CONECT 18 17 CONECT 19 2 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 CONECT 31 30 32 CONECT 32 31 33 38 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 CONECT 36 35 37 41 CONECT 37 36 38 CONECT 38 37 39 40 32 CONECT 39 38 CONECT 40 38 CONECT 41 36 MASTER 0 0 0 0 0 0 0 0 41 0 84 0 END SMILES for NP0339766 (ε,ε-carotene-3-diol)CC(C=CC=C(C)C=CC1C(C)=CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C INCHI for NP0339766 (ε,ε-carotene-3-diol)InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,28,36-38,41H,15,27,29H2,1-10H3 3D Structure for NP0339766 (ε,ε-carotene-3-diol) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C40H56O | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 552.8870 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 552.43312 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-ol | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C=CC=C(C)C=CC1C(C)=CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(O)CC1(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,28,36-38,41H,15,27,29H2,1-10H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | OYMLZZKQOAPEGO-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 |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
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 | Not Available |