Showing NP-Card for Acetylmalonylawobanin (NP0057858)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-04-28 03:13:32 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2022-04-28 03:13:32 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0057858 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Acetylmalonylawobanin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Acetylmalonylawobanin is found in Salvia uliginosa. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0057858 (Acetylmalonylawobanin)
Mrv1652304282205132D
64 69 0 0 1 0 999 V2000
-0.0000 -1.6500 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 -0.4125 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
-0.7145 -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 -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 3 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
1.4289 -1.6500 0.0000 C 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
2.8579 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5724 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5724 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8579 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1434 -3.7125 0.0000 C 0 0 2 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 -4.1250 0.0000 C 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
0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -4.9500 0.0000 O 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 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -9.9000 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
4.2868 -4.1250 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 -0.0000 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
4.2868 0.8250 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
3.5724 -0.4125 0.0000 C 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
5.0013 1.2375 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
-0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4289 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1434 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1434 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4289 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -5.3625 0.0000 O 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
-1.4289 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -4.1250 0.0000 O 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
-3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -4.1250 0.0000 C 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
-1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
1 6 1 0 0 0 0
5 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
2 11 1 0 0 0 0
10 12 1 0 0 0 0
13 12 1 1 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
13 18 1 0 0 0 0
17 19 1 1 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
25 30 1 0 0 0 0
28 31 1 0 0 0 0
16 32 1 1 0 0 0
15 33 1 6 0 0 0
14 34 1 6 0 0 0
9 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
35 40 1 0 0 0 0
39 41 1 0 0 0 0
38 42 1 0 0 0 0
37 43 1 0 0 0 0
1 44 1 0 0 0 0
45 44 1 6 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
45 50 1 0 0 0 0
49 51 1 1 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
48 59 1 6 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
60 62 1 0 0 0 0
47 63 1 6 0 0 0
46 64 1 1 0 0 0
M CHG 1 8 1
M END
3D MOL for NP0057858 (Acetylmalonylawobanin)
RDKit 3D
105110 0 0 0 0 0 0 0 0999 V2000
-5.5112 -2.6578 5.7648 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8270 -1.8604 4.7371 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9252 -2.3899 3.9988 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0940 -0.5219 4.4952 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3988 0.1993 3.4876 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3204 0.9127 2.5583 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.8275 -0.0220 1.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7959 0.6142 0.6577 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0085 1.0924 1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3285 0.9764 2.2932 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9338 1.7452 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9423 0.8054 -0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8223 1.2843 -1.1718 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9120 -0.5145 -0.0179 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7197 2.0374 1.9963 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3334 1.8333 1.8740 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7421 2.6252 1.0486 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1246 3.3698 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3211 4.7576 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6498 5.5319 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8605 6.9149 -0.9100 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7434 4.9631 -1.6789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5073 3.5800 -1.6143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3521 3.0322 -2.4218 O 0 0 0 0 0 3 0 0 0 0 0 0
0.6293 1.7232 -2.4155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6024 1.2011 -3.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3486 2.1331 -4.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2739 1.7256 -5.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9758 2.7139 -5.7460 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5250 0.4082 -5.2967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4735 0.0711 -6.2556 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8180 -0.5227 -4.5852 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0369 -1.8702 -4.8118 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8731 -0.1004 -3.6299 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0182 0.9129 -1.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2249 -0.4173 -1.4592 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4040 -1.3313 -0.6404 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2098 -1.4991 0.5983 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4202 -2.0857 0.6505 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4939 -1.0613 0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8054 -1.6499 0.4171 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9216 -0.8309 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6963 0.3624 -0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2752 -1.3705 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3363 -0.6386 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7140 -1.1027 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7721 -0.2351 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0920 -0.6246 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3502 -1.9418 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6801 -2.3669 0.1836 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3382 -2.8400 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0383 -2.3948 0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4912 -3.3195 -0.1999 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0255 -3.0541 -1.4546 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0438 -3.7648 -0.4751 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5946 -3.7935 0.7589 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6402 -2.6807 -1.3005 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9773 -2.9260 -1.5305 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9348 1.4602 -0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1842 2.8307 -0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7208 1.9805 3.2954 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4287 1.5291 3.2881 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5681 1.2326 4.2608 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4180 2.0643 4.9890 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5656 -3.7019 5.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5315 -2.1940 5.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0038 -2.5771 6.7562 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7070 -0.5040 3.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1982 1.2605 3.1314 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0019 -0.3068 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2456 -0.9466 1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5153 2.5446 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3251 2.2233 -0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8943 -1.2998 -0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2441 0.7518 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0342 5.2641 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5214 7.3714 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1910 5.5175 -2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1549 3.1788 -3.9021 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6642 2.4660 -6.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7044 -0.8842 -6.4930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4998 -2.5337 -4.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3408 -0.8800 -3.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4244 -0.9373 -0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5780 -2.4290 1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3612 -0.5376 -0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4624 -0.3087 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3951 -2.4048 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1529 0.4064 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5315 0.7950 -0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9037 0.0785 -0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9024 -3.3270 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5806 -3.8877 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2657 -3.1089 0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0256 -4.1543 0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6929 -2.3362 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0123 -4.7587 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8965 -4.7106 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1197 -2.6593 -2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2852 -3.7908 -1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4704 0.8991 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8185 3.0690 3.5505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2589 0.9017 4.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9759 0.6436 5.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2747 1.5726 5.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 14 1 0
12 13 2 0
6 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 60 1 0
60 59 2 0
59 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 2 0
42 44 1 0
44 45 2 0
45 46 1 0
46 47 2 0
47 48 1 0
48 49 2 0
49 50 1 0
49 51 1 0
51 52 2 0
39 53 1 0
53 54 1 0
53 55 1 0
55 56 1 0
55 57 1 0
57 58 1 0
35 25 2 0
25 24 1 0
24 23 2 0
23 22 1 0
22 20 2 0
20 21 1 0
20 19 1 0
25 26 1 0
26 27 2 0
27 28 1 0
28 29 1 0
28 30 2 0
30 31 1 0
30 32 1 0
32 33 1 0
32 34 2 0
16 61 1 0
61 62 1 0
61 63 1 0
63 64 1 0
63 5 1 0
19 18 2 0
34 26 1 0
23 60 1 0
57 37 1 0
52 46 1 0
1 65 1 0
1 66 1 0
1 67 1 0
5 68 1 6
6 69 1 1
7 70 1 0
7 71 1 0
11 72 1 0
11 73 1 0
14 74 1 0
16 75 1 6
59101 1 0
37 84 1 1
39 85 1 1
40 86 1 0
40 87 1 0
44 88 1 0
45 89 1 0
47 90 1 0
48 91 1 0
50 92 1 0
51 93 1 0
52 94 1 0
53 95 1 1
54 96 1 0
55 97 1 6
56 98 1 0
57 99 1 6
58100 1 0
22 78 1 0
21 77 1 0
19 76 1 0
27 79 1 0
29 80 1 0
31 81 1 0
33 82 1 0
34 83 1 0
61102 1 1
62103 1 0
63104 1 1
64105 1 0
M CHG 1 24 1
M END
3D SDF for NP0057858 (Acetylmalonylawobanin)
Mrv1652304282205132D
64 69 0 0 1 0 999 V2000
-0.0000 -1.6500 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 -0.4125 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
-0.7145 -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 -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 3 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
1.4289 -1.6500 0.0000 C 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
2.8579 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5724 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5724 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8579 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1434 -3.7125 0.0000 C 0 0 2 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 -4.1250 0.0000 C 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
0.7145 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -4.9500 0.0000 O 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 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -9.9000 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
4.2868 -4.1250 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 -0.0000 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
4.2868 0.8250 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
3.5724 -0.4125 0.0000 C 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
5.0013 1.2375 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
-0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4289 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1434 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1434 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4289 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -5.3625 0.0000 O 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
-1.4289 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -4.1250 0.0000 O 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
-3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -4.1250 0.0000 C 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
-1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
1 6 1 0 0 0 0
5 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
2 11 1 0 0 0 0
10 12 1 0 0 0 0
13 12 1 1 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
13 18 1 0 0 0 0
17 19 1 1 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
25 30 1 0 0 0 0
28 31 1 0 0 0 0
16 32 1 1 0 0 0
15 33 1 6 0 0 0
14 34 1 6 0 0 0
9 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
35 40 1 0 0 0 0
39 41 1 0 0 0 0
38 42 1 0 0 0 0
37 43 1 0 0 0 0
1 44 1 0 0 0 0
45 44 1 6 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
45 50 1 0 0 0 0
49 51 1 1 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
48 59 1 6 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
60 62 1 0 0 0 0
47 63 1 6 0 0 0
46 64 1 1 0 0 0
M CHG 1 8 1
M END
> <DATABASE_ID>
NP0057858
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC(=O)O[C@H]1[C@H](COC(=O)CC(O)=O)O[C@@H](OC2=C3C=C(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@H]4O)C(=[O+]C3=CC(O)=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O
> <INCHI_IDENTIFIER>
InChI=1S/C41H40O23/c1-16(42)59-39-28(15-58-31(50)13-29(47)48)64-41(37(56)35(39)54)61-25-11-20(44)10-24-21(25)12-26(38(60-24)18-8-22(45)32(51)23(46)9-18)62-40-36(55)34(53)33(52)27(63-40)14-57-30(49)7-4-17-2-5-19(43)6-3-17/h2-12,27-28,33-37,39-41,52-56H,13-15H2,1H3,(H5-,43,44,45,46,47,48,49,51)/p+1/t27-,28+,33+,34-,35-,36-,37-,39+,40-,41-/m1/s1
> <INCHI_KEY>
DBWMGCIKSXJMRD-HXGPFDAPSA-O
> <FORMULA>
C41H41O23
> <MOLECULAR_WEIGHT>
901.755
> <EXACT_MASS>
901.203314
> <JCHEM_ACCEPTOR_COUNT>
20
> <JCHEM_ATOM_COUNT>
105
> <JCHEM_AVERAGE_POLARIZABILITY>
84.45266050603705
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
11
> <JCHEM_FORMAL_CHARGE>
1
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
5-{[(2S,3R,4R,5R,6S)-5-(acetyloxy)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4-dihydroxyoxan-2-yl]oxy}-7-hydroxy-3-{[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
> <ALOGPS_LOGP>
2.85
> <JCHEM_LOGP>
1.5705999999999996
> <ALOGPS_LOGS>
-3.78
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
6.612089455625857
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.218154958487275
> <JCHEM_PKA_STRONGEST_BASIC>
-3.954307536316425
> <JCHEM_POLAR_SURFACE_AREA>
368.56
> <JCHEM_REFRACTIVITY>
216.57850000000008
> <JCHEM_ROTATABLE_BOND_COUNT>
17
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.55e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
5-{[(2S,3R,4R,5R,6S)-5-(acetyloxy)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4-dihydroxyoxan-2-yl]oxy}-7-hydroxy-3-{[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0057858 (Acetylmalonylawobanin)HEADER PROTEIN 28-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 28-APR-22 0 HETATM 1 C UNK 0 -0.000 -3.080 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 0.000 -0.000 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.334 -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 O UNK 0 -2.667 -0.000 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 2.667 -0.000 0.000 0.00 0.00 O+1 HETATM 9 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 5.335 -3.080 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 5.335 -4.620 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 6.668 -5.390 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 2.667 -9.240 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 1.334 -10.010 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 0.000 -9.240 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 1.334 -11.550 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 2.667 -12.320 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 2.667 -13.860 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 4.001 -14.630 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 4.001 -16.170 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 2.667 -16.940 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 1.334 -16.170 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 1.334 -14.630 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 2.667 -18.480 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 5.335 -9.240 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 8.002 -7.700 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 8.002 -4.620 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 5.335 -0.000 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 5.335 1.540 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 8.002 -0.000 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 6.668 -0.770 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 9.336 -0.770 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 9.336 2.310 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 6.668 3.850 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 -0.000 -4.620 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -4.001 -5.390 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 -2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 -1.334 -6.930 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 -2.667 -9.240 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 -4.001 -10.010 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 -4.001 -11.550 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 -2.667 -12.320 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 -5.335 -12.320 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -5.335 -13.860 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 -6.668 -14.630 0.000 0.00 0.00 O+0 HETATM 58 O UNK 0 -4.001 -14.630 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 -5.335 -7.700 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 -6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 -6.668 -5.390 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 -8.002 -7.700 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 -5.335 -4.620 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 -2.667 -3.080 0.000 0.00 0.00 O+0 CONECT 1 2 6 44 CONECT 2 1 3 11 CONECT 3 2 4 8 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 1 CONECT 7 5 CONECT 8 3 9 CONECT 9 8 10 35 CONECT 10 9 11 12 CONECT 11 10 2 CONECT 12 10 13 CONECT 13 12 14 18 CONECT 14 13 15 34 CONECT 15 14 16 33 CONECT 16 15 17 32 CONECT 17 16 18 19 CONECT 18 17 13 CONECT 19 17 20 CONECT 20 19 21 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 CONECT 24 23 25 CONECT 25 24 26 30 CONECT 26 25 27 CONECT 27 26 28 CONECT 28 27 29 31 CONECT 29 28 30 CONECT 30 29 25 CONECT 31 28 CONECT 32 16 CONECT 33 15 CONECT 34 14 CONECT 35 9 36 40 CONECT 36 35 37 CONECT 37 36 38 43 CONECT 38 37 39 42 CONECT 39 38 40 41 CONECT 40 39 35 CONECT 41 39 CONECT 42 38 CONECT 43 37 CONECT 44 1 45 CONECT 45 44 46 50 CONECT 46 45 47 64 CONECT 47 46 48 63 CONECT 48 47 49 59 CONECT 49 48 50 51 CONECT 50 49 45 CONECT 51 49 52 CONECT 52 51 53 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 56 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 CONECT 59 48 60 CONECT 60 59 61 62 CONECT 61 60 CONECT 62 60 CONECT 63 47 CONECT 64 46 MASTER 0 0 0 0 0 0 0 0 64 0 138 0 END SMILES for NP0057858 (Acetylmalonylawobanin)CC(=O)O[C@H]1[C@H](COC(=O)CC(O)=O)O[C@@H](OC2=C3C=C(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@H]4O)C(=[O+]C3=CC(O)=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O INCHI for NP0057858 (Acetylmalonylawobanin)InChI=1S/C41H40O23/c1-16(42)59-39-28(15-58-31(50)13-29(47)48)64-41(37(56)35(39)54)61-25-11-20(44)10-24-21(25)12-26(38(60-24)18-8-22(45)32(51)23(46)9-18)62-40-36(55)34(53)33(52)27(63-40)14-57-30(49)7-4-17-2-5-19(43)6-3-17/h2-12,27-28,33-37,39-41,52-56H,13-15H2,1H3,(H5-,43,44,45,46,47,48,49,51)/p+1/t27-,28+,33+,34-,35-,36-,37-,39+,40-,41-/m1/s1 3D Structure for NP0057858 (Acetylmalonylawobanin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C41H41O23 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 901.7550 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 901.20331 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 5-{[(2S,3R,4R,5R,6S)-5-(acetyloxy)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4-dihydroxyoxan-2-yl]oxy}-7-hydroxy-3-{[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 5-{[(2S,3R,4R,5R,6S)-5-(acetyloxy)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4-dihydroxyoxan-2-yl]oxy}-7-hydroxy-3-{[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-1lambda4-chromen-1-ylium | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(=O)O[C@H]1[C@H](COC(=O)CC(O)=O)O[C@@H](OC2=C3C=C(O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@H](O)[C@@H](O)[C@H]4O)C(=[O+]C3=CC(O)=C2)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@H]1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C41H40O23/c1-16(42)59-39-28(15-58-31(50)13-29(47)48)64-41(37(56)35(39)54)61-25-11-20(44)10-24-21(25)12-26(38(60-24)18-8-22(45)32(51)23(46)9-18)62-40-36(55)34(53)33(52)27(63-40)14-57-30(49)7-4-17-2-5-19(43)6-3-17/h2-12,27-28,33-37,39-41,52-56H,13-15H2,1H3,(H5-,43,44,45,46,47,48,49,51)/p+1/t27-,28+,33+,34-,35-,36-,37-,39+,40-,41-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DBWMGCIKSXJMRD-HXGPFDAPSA-O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
