Showing NP-Card for Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside (NP0336302)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2024-09-11 05:37:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-11 05:37:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0336302 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Based on a literature review very few articles have been published on Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0336302 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)
Mrv2104 05262308092D
42 46 0 0 0 0 999 V2000
0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 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 1.2375 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
2.1434 -3.7125 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
2.8579 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
4.2868 0.8250 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
2.8579 -4.1250 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
0.7145 -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
-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
1.4289 -1.6500 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
3.5724 -2.8875 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
2.1434 -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
-1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 1.2375 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
2.8579 -4.9500 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
4.2868 -4.1250 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
-2.8579 2.4750 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
-2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 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
-0.7145 1.2375 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 0.0000 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
4 3 2 0 0 0 0
9 1 1 0 0 0 0
10 3 1 0 0 0 0
10 5 2 0 0 0 0
11 6 2 0 0 0 0
11 7 1 0 0 0 0
12 4 1 0 0 0 0
13 6 1 0 0 0 0
14 8 1 0 0 0 0
15 5 1 0 0 0 0
15 12 2 0 0 0 0
16 7 2 0 0 0 0
17 13 2 0 0 0 0
17 16 1 0 0 0 0
18 9 1 0 0 0 0
19 14 1 0 0 0 0
20 17 1 0 0 0 0
21 18 1 0 0 0 0
22 19 1 0 0 0 0
23 21 1 0 0 0 0
24 10 1 0 0 0 0
25 20 1 0 0 0 0
25 24 2 0 0 0 0
26 22 1 0 0 0 0
27 23 1 0 0 0 0
28 12 1 0 0 0 0
29 13 1 0 0 0 0
30 14 1 0 0 0 0
31 18 1 0 0 0 0
32 19 1 0 0 0 0
33 20 2 0 0 0 0
34 21 1 0 0 0 0
35 22 1 0 0 0 0
36 23 1 0 0 0 0
37 2 1 0 0 0 0
37 15 1 0 0 0 0
38 8 1 0 0 0 0
38 26 1 0 0 0 0
39 9 1 0 0 0 0
39 27 1 0 0 0 0
40 11 1 0 0 0 0
40 27 1 0 0 0 0
41 16 1 0 0 0 0
41 24 1 0 0 0 0
42 25 1 0 0 0 0
42 26 1 0 0 0 0
M END
3D SDF for NP0336302 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)
Mrv2104 05262308092D
42 46 0 0 0 0 999 V2000
0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 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 1.2375 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
2.1434 -3.7125 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
2.8579 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
4.2868 0.8250 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
2.8579 -4.1250 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
0.7145 -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
-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
1.4289 -1.6500 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
3.5724 -2.8875 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
2.1434 -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
-1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 1.2375 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
2.8579 -4.9500 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
4.2868 -4.1250 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
-2.8579 2.4750 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
-2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 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
-0.7145 1.2375 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 0.0000 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
4 3 2 0 0 0 0
9 1 1 0 0 0 0
10 3 1 0 0 0 0
10 5 2 0 0 0 0
11 6 2 0 0 0 0
11 7 1 0 0 0 0
12 4 1 0 0 0 0
13 6 1 0 0 0 0
14 8 1 0 0 0 0
15 5 1 0 0 0 0
15 12 2 0 0 0 0
16 7 2 0 0 0 0
17 13 2 0 0 0 0
17 16 1 0 0 0 0
18 9 1 0 0 0 0
19 14 1 0 0 0 0
20 17 1 0 0 0 0
21 18 1 0 0 0 0
22 19 1 0 0 0 0
23 21 1 0 0 0 0
24 10 1 0 0 0 0
25 20 1 0 0 0 0
25 24 2 0 0 0 0
26 22 1 0 0 0 0
27 23 1 0 0 0 0
28 12 1 0 0 0 0
29 13 1 0 0 0 0
30 14 1 0 0 0 0
31 18 1 0 0 0 0
32 19 1 0 0 0 0
33 20 2 0 0 0 0
34 21 1 0 0 0 0
35 22 1 0 0 0 0
36 23 1 0 0 0 0
37 2 1 0 0 0 0
37 15 1 0 0 0 0
38 8 1 0 0 0 0
38 26 1 0 0 0 0
39 9 1 0 0 0 0
39 27 1 0 0 0 0
40 11 1 0 0 0 0
40 27 1 0 0 0 0
41 16 1 0 0 0 0
41 24 1 0 0 0 0
42 25 1 0 0 0 0
42 26 1 0 0 0 0
M END
> <DATABASE_ID>
NP0336302
> <DATABASE_NAME>
NP-MRD
> <SMILES>
COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1
> <INCHI_IDENTIFIER>
InChI=1/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)40-11-6-13(29)17-16(7-11)41-24(10-3-4-12(28)15(5-10)37-2)25(20(17)33)42-26-22(35)19(32)14(30)8-38-26/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3
> <INCHI_KEY>
UIXIEXAWTSBGCB-UHFFFAOYNA-N
> <FORMULA>
C27H30O15
> <MOLECULAR_WEIGHT>
594.522
> <EXACT_MASS>
594.158470266
> <JCHEM_ACCEPTOR_COUNT>
15
> <JCHEM_ATOM_COUNT>
72
> <JCHEM_AVERAGE_POLARIZABILITY>
57.762467583181184
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
8
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one
> <JCHEM_LOGP>
-0.5897644246666665
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
9.027287273290144
> <JCHEM_PKA_STRONGEST_ACIDIC>
7.093581033870326
> <JCHEM_PKA_STRONGEST_BASIC>
-3.526598553289411
> <JCHEM_POLAR_SURFACE_AREA>
234.2899999999999
> <JCHEM_REFRACTIVITY>
138.39599999999996
> <JCHEM_ROTATABLE_BOND_COUNT>
6
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0336302 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)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 0.000 4.620 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 10.669 0.000 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 5.335 1.540 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 4.001 -6.930 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 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 8.002 1.540 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 5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 8.002 0.000 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -2.667 4.620 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -4.001 3.850 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 -4.001 2.310 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 -2.667 1.540 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 9.336 2.310 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 0.000 -4.620 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 5.335 -9.240 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 -2.667 6.160 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 8.002 -7.700 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 2.667 -4.620 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 -5.335 4.620 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 8.002 -4.620 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 9.336 -0.770 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 -1.334 2.310 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 -2.667 0.000 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 2.667 0.000 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 5.335 -3.080 0.000 0.00 0.00 O+0 CONECT 1 9 CONECT 2 37 CONECT 3 4 10 CONECT 4 3 12 CONECT 5 10 15 CONECT 6 11 13 CONECT 7 11 16 CONECT 8 14 38 CONECT 9 1 18 39 CONECT 10 3 5 24 CONECT 11 6 7 40 CONECT 12 4 15 28 CONECT 13 6 17 29 CONECT 14 8 19 30 CONECT 15 5 12 37 CONECT 16 7 17 41 CONECT 17 13 16 20 CONECT 18 9 21 31 CONECT 19 14 22 32 CONECT 20 17 25 33 CONECT 21 18 23 34 CONECT 22 19 26 35 CONECT 23 21 27 36 CONECT 24 10 25 41 CONECT 25 20 24 42 CONECT 26 22 38 42 CONECT 27 23 39 40 CONECT 28 12 CONECT 29 13 CONECT 30 14 CONECT 31 18 CONECT 32 19 CONECT 33 20 CONECT 34 21 CONECT 35 22 CONECT 36 23 CONECT 37 2 15 CONECT 38 8 26 CONECT 39 9 27 CONECT 40 11 27 CONECT 41 16 24 CONECT 42 25 26 MASTER 0 0 0 0 0 0 0 0 42 0 92 0 END SMILES for NP0336302 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1 INCHI for NP0336302 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside)InChI=1/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)40-11-6-13(29)17-16(7-11)41-24(10-3-4-12(28)15(5-10)37-2)25(20(17)33)42-26-22(35)19(32)14(30)8-38-26/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3 3D Structure for NP0336302 (Isorhamnetin 3-O-a-L-arabinopyranoside 7-O-a-L-rhamnopyranoside) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C27H30O15 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 594.5220 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 594.15847 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | COC1=C(O)C=CC(=C1)C1=C(OC2OCC(O)C(O)C2O)C(=O)C2=C(O)C=C(OC3OC(C)C(O)C(O)C3O)C=C2O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1/C27H30O15/c1-9-18(31)21(34)23(36)27(39-9)40-11-6-13(29)17-16(7-11)41-24(10-3-4-12(28)15(5-10)37-2)25(20(17)33)42-26-22(35)19(32)14(30)8-38-26/h3-7,9,14,18-19,21-23,26-32,34-36H,8H2,1-2H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | UIXIEXAWTSBGCB-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 | |||||||||||||||||||||||||||||||||||||||||||||||||||