Showing NP-Card for Epitheaflavic acid 3'-gallate (NP0335977)
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Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2024-09-11 04:08:38 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2024-09-11 04:08:39 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0335977 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Epitheaflavic acid 3'-gallate | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Based on a literature review very few articles have been published on Epitheaflavic acid 3'-gallate. | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0335977 (Epitheaflavic acid 3'-gallate)Mrv2104 05262306402D 42 46 0 0 0 0 999 V2000 1.2365 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -2.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -2.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -2.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 2.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 2.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 2.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 2.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 0.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -2.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -2.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 -0.4217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 2.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 3.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 2.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 1.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0529 3.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 3.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 0.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -1.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -0.4217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 -0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 1 2 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 11 6 1 0 0 0 0 12 1 1 0 0 0 0 13 7 2 0 0 0 0 13 12 1 0 0 0 0 14 8 1 0 0 0 0 15 5 1 0 0 0 0 15 14 2 0 0 0 0 16 3 1 0 0 0 0 17 4 2 0 0 0 0 18 2 2 0 0 0 0 19 7 1 0 0 0 0 20 6 2 0 0 0 0 20 14 1 0 0 0 0 21 8 1 0 0 0 0 22 12 2 0 0 0 0 23 16 2 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 24 22 1 0 0 0 0 25 19 2 0 0 0 0 25 22 1 0 0 0 0 26 13 1 0 0 0 0 26 21 1 0 0 0 0 27 9 1 0 0 0 0 28 10 1 0 0 0 0 29 11 1 0 0 0 0 30 15 1 0 0 0 0 31 16 1 0 0 0 0 32 17 1 0 0 0 0 33 18 1 0 0 0 0 34 19 1 0 0 0 0 35 23 1 0 0 0 0 36 24 2 0 0 0 0 37 25 1 0 0 0 0 38 27 2 0 0 0 0 39 27 1 0 0 0 0 40 28 2 0 0 0 0 41 20 1 0 0 0 0 41 26 1 0 0 0 0 42 21 1 0 0 0 0 42 28 1 0 0 0 0 M END 3D SDF for NP0335977 (Epitheaflavic acid 3'-gallate)Mrv2104 05262306402D 42 46 0 0 0 0 999 V2000 1.2365 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 1.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -2.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -2.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -2.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 1.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0408 2.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 2.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 2.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 0.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2365 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 2.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 0.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -2.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 -2.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 -0.4217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6953 2.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 3.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 2.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 1.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0529 3.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 3.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 0.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2664 -1.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 -0.4217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 -0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 1 2 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 11 6 1 0 0 0 0 12 1 1 0 0 0 0 13 7 2 0 0 0 0 13 12 1 0 0 0 0 14 8 1 0 0 0 0 15 5 1 0 0 0 0 15 14 2 0 0 0 0 16 3 1 0 0 0 0 17 4 2 0 0 0 0 18 2 2 0 0 0 0 19 7 1 0 0 0 0 20 6 2 0 0 0 0 20 14 1 0 0 0 0 21 8 1 0 0 0 0 22 12 2 0 0 0 0 23 16 2 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 24 22 1 0 0 0 0 25 19 2 0 0 0 0 25 22 1 0 0 0 0 26 13 1 0 0 0 0 26 21 1 0 0 0 0 27 9 1 0 0 0 0 28 10 1 0 0 0 0 29 11 1 0 0 0 0 30 15 1 0 0 0 0 31 16 1 0 0 0 0 32 17 1 0 0 0 0 33 18 1 0 0 0 0 34 19 1 0 0 0 0 35 23 1 0 0 0 0 36 24 2 0 0 0 0 37 25 1 0 0 0 0 38 27 2 0 0 0 0 39 27 1 0 0 0 0 40 28 2 0 0 0 0 41 20 1 0 0 0 0 41 26 1 0 0 0 0 42 21 1 0 0 0 0 42 28 1 0 0 0 0 M END > <DATABASE_ID> NP0335977 > <DATABASE_NAME> NP-MRD > <SMILES> OC(=O)C1=CC2=C(C(O)=C(O)C=C2C2OC3=CC(O)=CC(O)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(=O)C(O)=C1 > <INCHI_IDENTIFIER> InChI=1/C28H20O14/c29-11-5-15(30)14-8-21(42-28(40)10-3-16(31)23(35)17(32)4-10)26(41-20(14)6-11)13-7-19(34)25(37)22-12(13)1-9(27(38)39)2-18(33)24(22)36/h1-7,21,26,29-32,34-35,37H,8H2,(H,33,36)(H,38,39) > <INCHI_KEY> RQTWDINIJYBFNS-UHFFFAOYNA-N > <FORMULA> C28H20O14 > <MOLECULAR_WEIGHT> 580.454 > <EXACT_MASS> 580.085305324 > <JCHEM_ACCEPTOR_COUNT> 13 > <JCHEM_ATOM_COUNT> 62 > <JCHEM_AVERAGE_POLARIZABILITY> 54.763858129046156 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 9 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene-8-carboxylic acid > <JCHEM_LOGP> 3.6889897719999993 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 5 > <JCHEM_PHYSIOLOGICAL_CHARGE> -1 > <JCHEM_PKA> 7.588507289752354 > <JCHEM_PKA_STRONGEST_ACIDIC> 2.6790103225528297 > <JCHEM_PKA_STRONGEST_BASIC> -3.8339991313929738 > <JCHEM_POLAR_SURFACE_AREA> 251.73999999999995 > <JCHEM_REFRACTIVITY> 142.81060000000005 > <JCHEM_ROTATABLE_BOND_COUNT> 5 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> 4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2,8-trihydroxy-9-oxobenzo[7]annulene-6-carboxylic acid > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0335977 (Epitheaflavic acid 3'-gallate)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 2.308 1.333 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 4.478 3.063 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -6.898 -0.787 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -5.564 1.523 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 1.104 -5.407 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 2.438 -3.097 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -1.563 2.293 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -1.563 -2.327 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 3.809 1.675 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.564 -0.017 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 2.438 -4.637 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 1.104 2.293 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.230 1.523 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.230 -3.097 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.230 -4.637 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -8.232 -0.017 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -6.898 2.293 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 3.809 4.450 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.563 3.833 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 1.104 -2.327 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.563 -0.787 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 1.104 3.833 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -8.232 1.523 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 2.308 4.793 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -0.230 4.603 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.230 -0.017 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 4.770 0.471 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.231 -0.787 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 3.772 -5.407 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 -1.563 -5.407 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 -9.565 -0.787 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 -6.898 3.833 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 4.770 5.654 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 -2.897 4.603 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 -9.565 2.293 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 1.965 6.294 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 -0.230 6.143 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 6.293 0.701 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 4.207 -0.962 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -4.231 -2.327 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 1.104 -0.787 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 -2.897 -0.017 0.000 0.00 0.00 O+0 CONECT 1 9 12 CONECT 2 9 18 CONECT 3 10 16 CONECT 4 10 17 CONECT 5 11 15 CONECT 6 11 20 CONECT 7 13 19 CONECT 8 14 21 CONECT 9 1 2 27 CONECT 10 3 4 28 CONECT 11 5 6 29 CONECT 12 1 13 22 CONECT 13 7 12 26 CONECT 14 8 15 20 CONECT 15 5 14 30 CONECT 16 3 23 31 CONECT 17 4 23 32 CONECT 18 2 24 33 CONECT 19 7 25 34 CONECT 20 6 14 41 CONECT 21 8 26 42 CONECT 22 12 24 25 CONECT 23 16 17 35 CONECT 24 18 22 36 CONECT 25 19 22 37 CONECT 26 13 21 41 CONECT 27 9 38 39 CONECT 28 10 40 42 CONECT 29 11 CONECT 30 15 CONECT 31 16 CONECT 32 17 CONECT 33 18 CONECT 34 19 CONECT 35 23 CONECT 36 24 CONECT 37 25 CONECT 38 27 CONECT 39 27 CONECT 40 28 CONECT 41 20 26 CONECT 42 21 28 MASTER 0 0 0 0 0 0 0 0 42 0 92 0 END SMILES for NP0335977 (Epitheaflavic acid 3'-gallate)OC(=O)C1=CC2=C(C(O)=C(O)C=C2C2OC3=CC(O)=CC(O)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(=O)C(O)=C1 INCHI for NP0335977 (Epitheaflavic acid 3'-gallate)InChI=1/C28H20O14/c29-11-5-15(30)14-8-21(42-28(40)10-3-16(31)23(35)17(32)4-10)26(41-20(14)6-11)13-7-19(34)25(37)22-12(13)1-9(27(38)39)2-18(33)24(22)36/h1-7,21,26,29-32,34-35,37H,8H2,(H,33,36)(H,38,39) 3D Structure for NP0335977 (Epitheaflavic acid 3'-gallate) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C28H20O14 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 580.4540 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 580.08531 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene-8-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-1,2,8-trihydroxy-9-oxobenzo[7]annulene-6-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | OC(=O)C1=CC2=C(C(O)=C(O)C=C2C2OC3=CC(O)=CC(O)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(=O)C(O)=C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1/C28H20O14/c29-11-5-15(30)14-8-21(42-28(40)10-3-16(31)23(35)17(32)4-10)26(41-20(14)6-11)13-7-19(34)25(37)22-12(13)1-9(27(38)39)2-18(33)24(22)36/h1-7,21,26,29-32,34-35,37H,8H2,(H,33,36)(H,38,39) | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | RQTWDINIJYBFNS-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 | Not Available |