Showing NP-Card for Cathedulin K 1 (NP0059560)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-04-28 04:47:22 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2022-04-28 04:47:23 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0059560 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Cathedulin K 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Cathedulin K 1 is found in Catha edulis . | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0059560 (Cathedulin K 1)
Mrv1652304282206472D
63 67 0 0 1 0 999 V2000
0.5608 -0.7316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7432 -1.4593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0846 -1.6814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6865 -1.0797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4004 -0.2656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4545 -0.0352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5463 0.7947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0684 1.3627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8596 1.0809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0312 0.2714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1166 0.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1181 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0266 0.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7466 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9725 2.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 2.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6875 3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6475 3.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5918 1.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4252 2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3209 2.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2587 1.9026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4425 2.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9842 1.4760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4089 2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4748 0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0897 1.3423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8735 1.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0423 0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4274 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6436 -0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4546 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0709 -1.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9479 -1.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1251 -1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5152 -1.0769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3428 -0.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4040 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3385 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2151 1.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 -0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7572 0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6200 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 0.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8940 1.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5818 -1.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2420 -2.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1245 -3.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1571 -2.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3619 -3.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0442 -2.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5264 -2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3472 -2.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1878 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0995 -2.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5231 -3.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2664 -3.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -4.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1873 -1.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7388 -1.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5361 -2.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4332 -2.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
5 10 1 0 0 0 0
10 11 1 6 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
9 15 1 1 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
8 19 1 1 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 6 0 0 0
22 24 1 0 0 0 0
24 25 1 1 0 0 0
24 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
26 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
2 36 1 0 0 0 0
36 37 1 0 0 0 0
6 37 1 1 0 0 0
36 38 1 6 0 0 0
7 39 1 0 0 0 0
7 40 1 6 0 0 0
5 41 1 6 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
4 46 1 6 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
49 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
3 56 1 1 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
1 60 1 6 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
M END
3D MOL for NP0059560 (Cathedulin K 1)
RDKit 3D
116120 0 0 0 0 0 0 0 0999 V2000
2.1369 -5.3080 -2.7218 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4794 -3.9006 -2.3858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5700 -3.4594 -2.8646 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6769 -3.1159 -1.6088 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0445 -1.8168 -1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0489 -1.0431 -0.4444 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9998 -1.7973 0.8079 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0138 -2.8029 0.8001 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0573 -2.9753 1.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0239 -4.0739 1.4485 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2042 -2.1599 2.5182 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2893 -2.3683 1.3505 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6252 -1.7737 2.5825 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7027 -2.3655 3.8096 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0764 -1.5873 5.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4408 -3.6049 3.8524 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3942 -2.5557 0.3790 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7108 -2.5028 0.8939 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9458 -2.1135 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6595 -2.7745 -0.3922 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8056 -0.9676 0.8995 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2414 -1.4309 1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8274 0.2933 0.1021 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1729 0.5101 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5121 1.4963 0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0067 1.3447 2.2429 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9162 2.2360 3.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2678 3.4257 2.9945 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7564 3.5954 1.7227 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8580 2.6456 0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1985 3.0836 -0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7273 4.2259 -0.9279 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2610 2.7066 -1.3990 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8986 2.6129 -1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7545 1.2073 -2.2400 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7409 1.2331 -3.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7035 0.5648 -1.1222 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2574 -0.7958 -1.1726 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0424 -0.8416 -2.5941 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0415 -1.1734 -3.3669 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0847 -2.0591 -4.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3601 -2.2650 -5.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0039 -2.6402 -4.7249 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5117 0.6539 -2.7561 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6953 0.8891 -1.8979 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7737 2.3212 -1.7261 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8396 3.0695 -2.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8267 4.5300 -1.9625 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8012 2.5344 -2.7843 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6443 0.3301 -0.4774 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9625 0.4651 0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2427 1.4760 0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2714 2.1909 1.3106 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5707 1.7401 1.5290 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9552 0.5258 2.3597 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6163 1.9454 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4590 2.8682 2.3833 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5325 3.3885 3.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4187 4.5684 3.9612 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6634 2.8700 2.9234 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3933 -1.3051 -0.4702 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6125 -0.3069 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4552 -1.5496 -1.2571 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1018 -5.4489 -3.8231 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9395 -5.9895 -2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1563 -5.5933 -2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9385 -1.9181 -0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5217 -1.2323 -2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 -1.1482 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9758 -3.9071 1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5516 -5.0507 1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2697 -4.1434 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1102 -3.4520 1.6955 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2211 -1.7022 5.7411 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0431 -1.8654 5.4432 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1114 -0.5251 4.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1490 -3.3924 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4613 -0.6891 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7039 -0.6308 1.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7466 -1.6446 0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1623 -2.3586 1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0874 0.3338 -0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0827 1.4628 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9960 0.5900 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2995 -0.2959 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3238 2.0800 4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1646 4.1868 3.7626 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2634 4.5781 1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2836 2.8429 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6421 3.2872 -2.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9204 2.3110 -3.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7681 0.9500 -3.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3038 0.8325 -4.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8769 -1.4230 -2.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4019 -3.1767 -5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6230 -1.3536 -5.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1589 -2.3398 -4.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7604 0.8435 -3.7896 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6361 0.6642 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8802 4.6783 -0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7069 5.0431 -2.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8595 4.9987 -2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0105 1.0421 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7744 0.7637 3.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1222 -0.3666 1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0643 0.3483 3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8911 3.0255 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4682 1.2916 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1324 1.7527 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4045 5.0365 4.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7545 5.3093 3.4783 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9913 4.3087 4.9451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9519 0.6044 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6115 -0.0042 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2262 -0.6272 1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7426 -1.0006 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0
24 23 1 0
23 21 1 0
21 22 1 0
21 19 1 0
19 20 2 0
19 18 1 0
18 17 1 0
17 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
14 16 2 0
12 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
9 11 2 0
7 6 1 0
6 5 1 6
5 4 1 0
4 2 1 0
2 1 1 0
2 3 2 0
6 50 1 0
50 51 1 0
51 52 1 0
52 53 2 0
52 54 1 0
54 55 1 0
54 56 1 0
54 57 1 1
57 58 1 0
58 59 1 0
58 60 2 0
50 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
47 49 2 0
45 44 1 0
44 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
41 43 2 0
39 38 1 0
38 37 1 1
37 35 1 0
35 36 1 6
35 34 1 0
34 33 1 0
33 31 1 0
31 32 2 0
31 30 1 0
30 29 2 0
29 28 1 0
28 27 2 0
27 26 1 0
26 25 2 0
38 61 1 0
61 62 1 0
61 63 1 6
25 23 1 0
61 17 1 0
38 6 1 0
25 30 1 0
35 44 1 0
24 83 1 0
24 84 1 0
24 85 1 0
23 82 1 6
21 78 1 1
22 79 1 0
22 80 1 0
22 81 1 0
17 77 1 6
12 73 1 1
15 74 1 0
15 75 1 0
15 76 1 0
7 69 1 1
10 70 1 0
10 71 1 0
10 72 1 0
5 67 1 0
5 68 1 0
1 64 1 0
1 65 1 0
1 66 1 0
50103 1 1
55104 1 0
55105 1 0
55106 1 0
56107 1 0
56108 1 0
56109 1 0
59110 1 0
59111 1 0
59112 1 0
45 99 1 6
48100 1 0
48101 1 0
48102 1 0
44 98 1 6
39 94 1 1
42 95 1 0
42 96 1 0
42 97 1 0
36 91 1 0
36 92 1 0
36 93 1 0
34 89 1 0
34 90 1 0
29 88 1 0
28 87 1 0
27 86 1 0
62113 1 0
62114 1 0
62115 1 0
63116 1 0
M END
3D SDF for NP0059560 (Cathedulin K 1)
Mrv1652304282206472D
63 67 0 0 1 0 999 V2000
0.5608 -0.7316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7432 -1.4593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0846 -1.6814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6865 -1.0797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4004 -0.2656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4545 -0.0352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5463 0.7947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0684 1.3627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8596 1.0809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0312 0.2714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1166 0.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1181 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0266 0.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7466 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9725 2.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 2.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6875 3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6475 3.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5918 1.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4252 2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3209 2.8935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2587 1.9026 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4425 2.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9842 1.4760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4089 2.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4748 0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0897 1.3423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8735 1.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0423 0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4274 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6436 -0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4546 -0.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0709 -1.4647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9479 -1.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1251 -1.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5152 -1.0769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3428 -0.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4040 -1.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3385 0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2151 1.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 -0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7572 0.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6200 0.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1430 0.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8940 1.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5818 -1.6593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2420 -2.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1245 -3.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1571 -2.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6680 -2.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3619 -3.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0442 -2.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5264 -2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3472 -2.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1878 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0995 -2.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5231 -3.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2664 -3.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -4.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1873 -1.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7388 -1.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5361 -2.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4332 -2.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
5 10 1 0 0 0 0
10 11 1 6 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
9 15 1 1 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
8 19 1 1 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 6 0 0 0
22 24 1 0 0 0 0
24 25 1 1 0 0 0
24 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
26 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
2 36 1 0 0 0 0
36 37 1 0 0 0 0
6 37 1 1 0 0 0
36 38 1 6 0 0 0
7 39 1 0 0 0 0
7 40 1 6 0 0 0
5 41 1 6 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
4 46 1 6 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
49 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
3 56 1 1 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
1 60 1 6 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
M END
> <DATABASE_ID>
NP0059560
> <DATABASE_NAME>
NP-MRD
> <SMILES>
C[C@@H]1[C@@H](C)C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@@H](OC(=O)C(C)(C)OC(C)=O)[C@H](OC(C)=O)[C@H]4[C@H](OC(C)=O)[C@@]3(O[C@@]4(C)COC(=O)C3=CC=CN=C13)[C@@]2(C)O
> <INCHI_IDENTIFIER>
InChI=1S/C42H53NO20/c1-18-19(2)35(50)60-32-30(57-22(5)46)34(59-24(7)48)41(17-54-20(3)44)33(61-37(52)38(9,10)62-25(8)49)29(56-21(4)45)27-31(58-23(6)47)42(41,40(32,12)53)63-39(27,11)16-55-36(51)26-14-13-15-43-28(18)26/h13-15,18-19,27,29-34,53H,16-17H2,1-12H3/t18-,19-,27+,29-,30+,31?,32-,33+,34-,39+,40+,41+,42-/m1/s1
> <INCHI_KEY>
IMTNQTDZOGWHGC-PDMZAURPSA-N
> <FORMULA>
C42H53NO20
> <MOLECULAR_WEIGHT>
891.873
> <EXACT_MASS>
891.316093111
> <JCHEM_ACCEPTOR_COUNT>
12
> <JCHEM_ATOM_COUNT>
116
> <JCHEM_AVERAGE_POLARIZABILITY>
85.4809220164612
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
1
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1R,3R,13R,14R,17R,18R,19S,20S,21R,22R,23S,24S,25S)-18,19,22,24-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7,9,11-trien-21-yl 2-(acetyloxy)-2-methylpropanoate
> <ALOGPS_LOGP>
2.36
> <JCHEM_LOGP>
0.382428587666666
> <ALOGPS_LOGS>
-3.45
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA_STRONGEST_ACIDIC>
12.735276385890963
> <JCHEM_PKA_STRONGEST_BASIC>
2.6118354072845507
> <JCHEM_POLAR_SURFACE_AREA>
279.04999999999995
> <JCHEM_REFRACTIVITY>
202.85750000000007
> <JCHEM_ROTATABLE_BOND_COUNT>
16
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
3.13e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(1R,3R,13R,14R,17R,18R,19S,20S,21R,22R,23S,24S,25S)-18,19,22,24-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7,9,11-trien-21-yl 2-(acetyloxy)-2-methylpropanoate
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0059560 (Cathedulin K 1)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 1.047 -1.366 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 1.387 -2.724 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.158 -3.139 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.281 -2.015 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.747 -0.496 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 0.848 -0.066 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 1.020 1.483 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.128 2.544 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.605 2.018 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.925 0.507 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 -3.951 0.618 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -5.820 1.292 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 -7.516 1.062 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 -6.994 2.491 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 -1.815 3.789 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -1.928 5.516 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -3.150 6.627 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 -1.209 6.943 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 1.105 3.542 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 2.660 3.794 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 2.466 5.401 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 4.216 3.551 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 4.559 5.144 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 5.570 2.755 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 6.363 4.180 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 6.486 1.479 0.000 0.00 0.00 C+0 HETATM 27 N UNK 0 7.634 2.506 0.000 0.00 0.00 N+0 HETATM 28 C UNK 0 9.097 2.025 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 9.412 0.518 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 8.264 -0.509 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 6.801 -0.028 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 6.449 -1.588 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 7.599 -2.734 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 5.503 -2.837 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 3.967 -3.124 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 2.828 -2.010 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 2.507 -0.398 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 2.621 -3.626 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 2.498 0.775 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 2.268 2.353 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -2.649 -0.105 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -3.280 1.493 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 -4.891 1.776 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 -5.867 0.235 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 -5.402 3.369 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 -2.953 -3.097 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 -4.185 -4.676 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 -3.966 -6.299 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 -5.893 -5.065 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -6.847 -3.812 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -6.276 -6.615 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 -7.549 -5.232 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 -8.449 -3.983 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 -9.981 -4.138 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 -7.817 -2.578 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 0.186 -5.006 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 0.976 -6.557 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 2.364 -7.446 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 0.490 -8.188 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 -0.350 -2.079 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 -1.379 -3.472 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 -1.001 -5.016 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 -2.675 -4.435 0.000 0.00 0.00 C+0 CONECT 1 2 6 60 CONECT 2 1 3 36 CONECT 3 2 4 56 CONECT 4 3 5 46 CONECT 5 4 6 10 41 CONECT 6 5 1 7 37 CONECT 7 6 8 39 40 CONECT 8 7 9 19 CONECT 9 8 10 15 CONECT 10 9 5 11 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 CONECT 15 9 16 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 CONECT 19 8 20 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 26 CONECT 25 24 CONECT 26 24 27 31 CONECT 27 26 28 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 26 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 CONECT 35 34 36 CONECT 36 35 2 37 38 CONECT 37 36 6 CONECT 38 36 CONECT 39 7 CONECT 40 7 CONECT 41 5 42 CONECT 42 41 43 CONECT 43 42 44 45 CONECT 44 43 CONECT 45 43 CONECT 46 4 47 CONECT 47 46 48 49 CONECT 48 47 CONECT 49 47 50 51 52 CONECT 50 49 CONECT 51 49 CONECT 52 49 53 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 CONECT 56 3 57 CONECT 57 56 58 59 CONECT 58 57 CONECT 59 57 CONECT 60 1 61 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 MASTER 0 0 0 0 0 0 0 0 63 0 134 0 END SMILES for NP0059560 (Cathedulin K 1)C[C@@H]1[C@@H](C)C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@@H](OC(=O)C(C)(C)OC(C)=O)[C@H](OC(C)=O)[C@H]4[C@H](OC(C)=O)[C@@]3(O[C@@]4(C)COC(=O)C3=CC=CN=C13)[C@@]2(C)O INCHI for NP0059560 (Cathedulin K 1)InChI=1S/C42H53NO20/c1-18-19(2)35(50)60-32-30(57-22(5)46)34(59-24(7)48)41(17-54-20(3)44)33(61-37(52)38(9,10)62-25(8)49)29(56-21(4)45)27-31(58-23(6)47)42(41,40(32,12)53)63-39(27,11)16-55-36(51)26-14-13-15-43-28(18)26/h13-15,18-19,27,29-34,53H,16-17H2,1-12H3/t18-,19-,27+,29-,30+,31?,32-,33+,34-,39+,40+,41+,42-/m1/s1 3D Structure for NP0059560 (Cathedulin K 1) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C42H53NO20 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 891.8730 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 891.31609 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1R,3R,13R,14R,17R,18R,19S,20S,21R,22R,23S,24S,25S)-18,19,22,24-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7,9,11-trien-21-yl 2-(acetyloxy)-2-methylpropanoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1R,3R,13R,14R,17R,18R,19S,20S,21R,22R,23S,24S,25S)-18,19,22,24-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7,9,11-trien-21-yl 2-(acetyloxy)-2-methylpropanoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@@H]1[C@@H](C)C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]3(COC(C)=O)[C@@H](OC(=O)C(C)(C)OC(C)=O)[C@H](OC(C)=O)[C@H]4[C@H](OC(C)=O)[C@@]3(O[C@@]4(C)COC(=O)C3=CC=CN=C13)[C@@]2(C)O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C42H53NO20/c1-18-19(2)35(50)60-32-30(57-22(5)46)34(59-24(7)48)41(17-54-20(3)44)33(61-37(52)38(9,10)62-25(8)49)29(56-21(4)45)27-31(58-23(6)47)42(41,40(32,12)53)63-39(27,11)16-55-36(51)26-14-13-15-43-28(18)26/h13-15,18-19,27,29-34,53H,16-17H2,1-12H3/t18-,19-,27+,29-,30+,31?,32-,33+,34-,39+,40+,41+,42-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | IMTNQTDZOGWHGC-PDMZAURPSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
