Showing NP-Card for Jubanine C (NP0069201)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-04-28 14:31:20 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-12 19:57:52 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0069201 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Jubanine C | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Jubanine C is found in Zizyphus jujuba . Based on a literature review very few articles have been published on Jubanine C. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0069201 (Jubanine C)
NP0069201
Mrv2104 05272322303D
96100 0 0 0 0 999 V2000
7.8308 1.4300 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3571 1.0728 1.5273 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8116 1.2375 0.0887 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5516 0.2880 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2512 1.1003 0.0841 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7819 -0.3866 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8606 -1.0693 -0.9926 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2405 -0.9380 1.1832 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0763 -0.3078 2.4851 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3904 -1.3626 3.3409 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8879 -2.6735 2.7435 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9397 -2.3766 1.2433 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5935 -2.7540 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2469 -3.9215 0.4154 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7504 -1.6995 0.3440 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5862 -1.8678 -0.2516 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3334 -0.6052 0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7878 0.4997 0.2933 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6287 -0.7852 0.6896 N 0 0 2 0 0 0 0 0 0 0 0 0
-3.3890 0.2972 1.3636 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7871 1.4069 0.3685 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5200 2.5892 0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0252 3.2655 2.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7115 4.3595 2.6097 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8901 4.8010 2.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3784 4.1557 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6924 3.0632 0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5606 -0.3582 2.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3163 -1.0793 3.1496 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8426 -0.3012 1.6222 N 0 0 2 0 0 0 0 0 0 0 0 0
-6.1185 -1.1648 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7237 -2.4482 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9526 -3.0247 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8337 -2.3810 -1.7594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6431 -2.4820 -2.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6014 -3.2263 -1.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8247 -4.1043 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0062 -3.9990 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3494 -3.1026 -2.4520 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5036 -2.0959 -1.8113 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4000 -0.8553 -2.6966 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7569 -0.6485 -3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8794 0.4683 -4.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1531 1.3997 -4.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3071 1.2115 -3.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 0.0923 -2.7933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5564 1.9554 -0.9254 N 0 0 1 0 0 0 0 0 0 0 0 0
3.9287 1.7366 -2.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0990 1.9184 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0271 2.4380 1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4726 0.7192 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1174 1.4040 2.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2061 0.0443 1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7924 1.7259 2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0483 2.2644 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5948 0.6028 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1170 0.2591 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5634 -0.7370 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9221 1.5326 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4838 0.6106 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0685 -0.0704 2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6306 -1.2591 4.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3019 -1.2867 3.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2437 -3.5188 3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8999 -2.8816 3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7285 -2.9452 0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1470 -0.7663 0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0084 -2.7443 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9254 -1.7340 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7130 0.7243 2.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8966 1.8068 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3886 0.9649 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0938 2.9609 2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3200 4.8757 3.4837 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4203 5.6560 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2878 4.5146 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0799 2.5916 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1206 0.6500 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3916 -0.6469 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5108 -2.8980 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5903 -1.6888 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4958 -1.9051 -3.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0371 -4.7754 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0992 -4.5629 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4725 -2.5880 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5857 -1.3560 -3.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7817 0.6082 -4.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0590 2.2667 -5.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1155 1.9349 -3.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3449 -0.0167 -2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9798 1.9882 -2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7376 0.7172 -2.6632 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3668 2.4148 -2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6323 2.6932 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6780 0.9521 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8050 2.1312 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
8 9 1 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
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
20 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 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
36 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
5 47 1 0 0 0 0
47 48 1 0 0 0 0
47 49 1 0 0 0 0
12 8 1 0 0 0 0
40 16 1 0 0 0 0
46 41 1 0 0 0 0
27 22 1 0 0 0 0
38 33 1 0 0 0 0
1 50 1 0 0 0 0
1 51 1 0 0 0 0
1 52 1 0 0 0 0
2 53 1 0 0 0 0
2 54 1 0 0 0 0
3 55 1 0 0 0 0
4 56 1 0 0 0 0
4 57 1 0 0 0 0
4 58 1 0 0 0 0
5 59 1 0 0 0 0
9 60 1 0 0 0 0
9 61 1 0 0 0 0
10 62 1 0 0 0 0
10 63 1 0 0 0 0
11 64 1 0 0 0 0
11 65 1 0 0 0 0
12 66 1 0 0 0 0
15 67 1 0 0 0 0
16 68 1 0 0 0 0
19 69 1 0 0 0 0
20 70 1 0 0 0 0
21 71 1 0 0 0 0
21 72 1 0 0 0 0
23 73 1 0 0 0 0
24 74 1 0 0 0 0
25 75 1 0 0 0 0
26 76 1 0 0 0 0
27 77 1 0 0 0 0
30 78 1 0 0 0 0
31 79 1 0 0 0 0
32 80 1 0 0 0 0
34 81 1 0 0 0 0
35 82 1 0 0 0 0
37 83 1 0 0 0 0
38 84 1 0 0 0 0
40 85 1 0 0 0 0
42 86 1 0 0 0 0
43 87 1 0 0 0 0
44 88 1 0 0 0 0
45 89 1 0 0 0 0
46 90 1 0 0 0 0
48 91 1 0 0 0 0
48 92 1 0 0 0 0
48 93 1 0 0 0 0
49 94 1 0 0 0 0
49 95 1 0 0 0 0
49 96 1 0 0 0 0
M END
3D SDF for NP0069201 (Jubanine C)
NP0069201
Mrv2104 05272322303D
96100 0 0 0 0 999 V2000
7.8308 1.4300 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3571 1.0728 1.5273 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8116 1.2375 0.0887 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5516 0.2880 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2512 1.1003 0.0841 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7819 -0.3866 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8606 -1.0693 -0.9926 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2405 -0.9380 1.1832 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0763 -0.3078 2.4851 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3904 -1.3626 3.3409 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8879 -2.6735 2.7435 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9397 -2.3766 1.2433 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5935 -2.7540 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2469 -3.9215 0.4154 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7504 -1.6995 0.3440 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5862 -1.8678 -0.2516 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3334 -0.6052 0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7878 0.4997 0.2933 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6287 -0.7852 0.6896 N 0 0 2 0 0 0 0 0 0 0 0 0
-3.3890 0.2972 1.3636 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7871 1.4069 0.3685 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5200 2.5892 0.9599 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0252 3.2655 2.0829 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7115 4.3595 2.6097 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8901 4.8010 2.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3784 4.1557 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6924 3.0632 0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5606 -0.3582 2.1781 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3163 -1.0793 3.1496 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8426 -0.3012 1.6222 N 0 0 2 0 0 0 0 0 0 0 0 0
-6.1185 -1.1648 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7237 -2.4482 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9526 -3.0247 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8337 -2.3810 -1.7594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6431 -2.4820 -2.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6014 -3.2263 -1.9421 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8247 -4.1043 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0062 -3.9990 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3494 -3.1026 -2.4520 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5036 -2.0959 -1.8113 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4000 -0.8553 -2.6966 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7569 -0.6485 -3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8794 0.4683 -4.3012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1531 1.3997 -4.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3071 1.2115 -3.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 0.0923 -2.7933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5564 1.9554 -0.9254 N 0 0 1 0 0 0 0 0 0 0 0 0
3.9287 1.7366 -2.3167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0990 1.9184 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0271 2.4380 1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4726 0.7192 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1174 1.4040 2.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2061 0.0443 1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7924 1.7259 2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0483 2.2644 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5948 0.6028 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1170 0.2591 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5634 -0.7370 -0.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9221 1.5326 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4838 0.6106 2.4046 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0685 -0.0704 2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6306 -1.2591 4.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3019 -1.2867 3.2288 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2437 -3.5188 3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8999 -2.8816 3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7285 -2.9452 0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1470 -0.7663 0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0084 -2.7443 0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9254 -1.7340 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7130 0.7243 2.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8966 1.8068 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3886 0.9649 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0938 2.9609 2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3200 4.8757 3.4837 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4203 5.6560 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2878 4.5146 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0799 2.5916 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1206 0.6500 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3916 -0.6469 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5108 -2.8980 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5903 -1.6888 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4958 -1.9051 -3.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0371 -4.7754 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0992 -4.5629 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4725 -2.5880 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5857 -1.3560 -3.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7817 0.6082 -4.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0590 2.2667 -5.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1155 1.9349 -3.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3449 -0.0167 -2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9798 1.9882 -2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7376 0.7172 -2.6632 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3668 2.4148 -2.9714 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6323 2.6932 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6780 0.9521 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8050 2.1312 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
8 9 1 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
12 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
20 28 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 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
36 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
5 47 1 0 0 0 0
47 48 1 0 0 0 0
47 49 1 0 0 0 0
12 8 1 0 0 0 0
40 16 1 0 0 0 0
46 41 1 0 0 0 0
27 22 1 0 0 0 0
38 33 1 0 0 0 0
1 50 1 0 0 0 0
1 51 1 0 0 0 0
1 52 1 0 0 0 0
2 53 1 0 0 0 0
2 54 1 0 0 0 0
3 55 1 0 0 0 0
4 56 1 0 0 0 0
4 57 1 0 0 0 0
4 58 1 0 0 0 0
5 59 1 0 0 0 0
9 60 1 0 0 0 0
9 61 1 0 0 0 0
10 62 1 0 0 0 0
10 63 1 0 0 0 0
11 64 1 0 0 0 0
11 65 1 0 0 0 0
12 66 1 0 0 0 0
15 67 1 0 0 0 0
16 68 1 0 0 0 0
19 69 1 0 0 0 0
20 70 1 0 0 0 0
21 71 1 0 0 0 0
21 72 1 0 0 0 0
23 73 1 0 0 0 0
24 74 1 0 0 0 0
25 75 1 0 0 0 0
26 76 1 0 0 0 0
27 77 1 0 0 0 0
30 78 1 0 0 0 0
31 79 1 0 0 0 0
32 80 1 0 0 0 0
34 81 1 0 0 0 0
35 82 1 0 0 0 0
37 83 1 0 0 0 0
38 84 1 0 0 0 0
40 85 1 0 0 0 0
42 86 1 0 0 0 0
43 87 1 0 0 0 0
44 88 1 0 0 0 0
45 89 1 0 0 0 0
46 90 1 0 0 0 0
48 91 1 0 0 0 0
48 92 1 0 0 0 0
48 93 1 0 0 0 0
49 94 1 0 0 0 0
49 95 1 0 0 0 0
49 96 1 0 0 0 0
M END
> <DATABASE_ID>
NP0069201
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]N(C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])\C([H])=C([H])\C2=C([H])C([H])=C(O[C@@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
> <INCHI_IDENTIFIER>
InChI=1/C39H47N5O5/c1-5-26(2)34(43(3)4)39(48)44-24-12-17-32(44)37(46)42-33-35(29-15-10-7-11-16-29)49-30-20-18-27(19-21-30)22-23-40-36(45)31(41-38(33)47)25-28-13-8-6-9-14-28/h6-11,13-16,18-23,26,31-35H,5,12,17,24-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b23-22+/t26-,31+,32+,33-,34-,35+/s2
> <INCHI_KEY>
JMILOTKBOBTKBB-JSGDCEATNA-N
> <FORMULA>
C39H47N5O5
> <MOLECULAR_WEIGHT>
665.835
> <EXACT_MASS>
665.357719633
> <JCHEM_ACCEPTOR_COUNT>
6
> <JCHEM_ATOM_COUNT>
96
> <JCHEM_AVERAGE_POLARIZABILITY>
71.12516342079539
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
3
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-N-[(3S,4R,7S,10E)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(2R,3R)-2-(dimethylamino)-3-methylpentanoyl]pyrrolidine-2-carboxamide
> <JCHEM_LOGP>
4.511198698999999
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
12.36030141707105
> <JCHEM_PKA_STRONGEST_ACIDIC>
10.91490449623986
> <JCHEM_PKA_STRONGEST_BASIC>
8.08976154804803
> <JCHEM_POLAR_SURFACE_AREA>
120.08000000000001
> <JCHEM_REFRACTIVITY>
188.5714999999999
> <JCHEM_ROTATABLE_BOND_COUNT>
9
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-[(3S,4R,7S,10E)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(2R,3R)-2-(dimethylamino)-3-methylpentanoyl]pyrrolidine-2-carboxamide
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0069201 (Jubanine C)HEADER PROTEIN 27-MAY-23 NONE TITLE NULL COMPND MOLECULE: NP0069201 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-MAY-23 0 HETATM 1 C UNK 0 7.831 1.430 1.669 0.00 0.00 C+0 HETATM 2 C UNK 0 6.357 1.073 1.527 0.00 0.00 C+0 HETATM 3 C UNK 0 5.812 1.238 0.089 0.00 0.00 C+0 HETATM 4 C UNK 0 6.552 0.288 -0.865 0.00 0.00 C+0 HETATM 5 C UNK 0 4.251 1.100 0.084 0.00 0.00 C+0 HETATM 6 C UNK 0 3.782 -0.387 0.033 0.00 0.00 C+0 HETATM 7 O UNK 0 3.861 -1.069 -0.993 0.00 0.00 O+0 HETATM 8 N UNK 0 3.240 -0.938 1.183 0.00 0.00 N+0 HETATM 9 C UNK 0 3.076 -0.308 2.485 0.00 0.00 C+0 HETATM 10 C UNK 0 2.390 -1.363 3.341 0.00 0.00 C+0 HETATM 11 C UNK 0 2.888 -2.674 2.744 0.00 0.00 C+0 HETATM 12 C UNK 0 2.940 -2.377 1.243 0.00 0.00 C+0 HETATM 13 C UNK 0 1.593 -2.754 0.589 0.00 0.00 C+0 HETATM 14 O UNK 0 1.247 -3.922 0.415 0.00 0.00 O+0 HETATM 15 N UNK 0 0.750 -1.700 0.344 0.00 0.00 N+0 HETATM 16 C UNK 0 -0.586 -1.868 -0.252 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.333 -0.605 0.249 0.00 0.00 C+0 HETATM 18 O UNK 0 -0.788 0.500 0.293 0.00 0.00 O+0 HETATM 19 N UNK 0 -2.629 -0.785 0.690 0.00 0.00 N+0 HETATM 20 C UNK 0 -3.389 0.297 1.364 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.787 1.407 0.369 0.00 0.00 C+0 HETATM 22 C UNK 0 -4.520 2.589 0.960 0.00 0.00 C+0 HETATM 23 C UNK 0 -4.025 3.265 2.083 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.712 4.359 2.610 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.890 4.801 2.015 0.00 0.00 C+0 HETATM 26 C UNK 0 -6.378 4.156 0.881 0.00 0.00 C+0 HETATM 27 C UNK 0 -5.692 3.063 0.352 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.561 -0.358 2.178 0.00 0.00 C+0 HETATM 29 O UNK 0 -4.316 -1.079 3.150 0.00 0.00 O+0 HETATM 30 N UNK 0 -5.843 -0.301 1.622 0.00 0.00 N+0 HETATM 31 C UNK 0 -6.119 -1.165 0.568 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.724 -2.448 0.603 0.00 0.00 C+0 HETATM 33 C UNK 0 -4.953 -3.025 -0.520 0.00 0.00 C+0 HETATM 34 C UNK 0 -4.834 -2.381 -1.759 0.00 0.00 C+0 HETATM 35 C UNK 0 -3.643 -2.482 -2.473 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.601 -3.226 -1.942 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.825 -4.104 -0.889 0.00 0.00 C+0 HETATM 38 C UNK 0 -4.006 -3.999 -0.164 0.00 0.00 C+0 HETATM 39 O UNK 0 -1.349 -3.103 -2.452 0.00 0.00 O+0 HETATM 40 C UNK 0 -0.504 -2.096 -1.811 0.00 0.00 C+0 HETATM 41 C UNK 0 -0.400 -0.855 -2.697 0.00 0.00 C+0 HETATM 42 C UNK 0 0.757 -0.649 -3.470 0.00 0.00 C+0 HETATM 43 C UNK 0 0.879 0.468 -4.301 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.153 1.400 -4.375 0.00 0.00 C+0 HETATM 45 C UNK 0 -1.307 1.212 -3.620 0.00 0.00 C+0 HETATM 46 C UNK 0 -1.430 0.092 -2.793 0.00 0.00 C+0 HETATM 47 N UNK 0 3.556 1.955 -0.925 0.00 0.00 N+0 HETATM 48 C UNK 0 3.929 1.737 -2.317 0.00 0.00 C+0 HETATM 49 C UNK 0 2.099 1.918 -0.776 0.00 0.00 C+0 HETATM 50 H UNK 0 8.027 2.438 1.290 0.00 0.00 H+0 HETATM 51 H UNK 0 8.473 0.719 1.138 0.00 0.00 H+0 HETATM 52 H UNK 0 8.117 1.404 2.725 0.00 0.00 H+0 HETATM 53 H UNK 0 6.206 0.044 1.874 0.00 0.00 H+0 HETATM 54 H UNK 0 5.792 1.726 2.205 0.00 0.00 H+0 HETATM 55 H UNK 0 6.048 2.264 -0.221 0.00 0.00 H+0 HETATM 56 H UNK 0 7.595 0.603 -0.990 0.00 0.00 H+0 HETATM 57 H UNK 0 6.117 0.259 -1.865 0.00 0.00 H+0 HETATM 58 H UNK 0 6.563 -0.737 -0.478 0.00 0.00 H+0 HETATM 59 H UNK 0 3.922 1.533 1.035 0.00 0.00 H+0 HETATM 60 H UNK 0 2.484 0.611 2.405 0.00 0.00 H+0 HETATM 61 H UNK 0 4.069 -0.070 2.882 0.00 0.00 H+0 HETATM 62 H UNK 0 2.631 -1.259 4.402 0.00 0.00 H+0 HETATM 63 H UNK 0 1.302 -1.287 3.229 0.00 0.00 H+0 HETATM 64 H UNK 0 2.244 -3.519 3.003 0.00 0.00 H+0 HETATM 65 H UNK 0 3.900 -2.882 3.115 0.00 0.00 H+0 HETATM 66 H UNK 0 3.728 -2.945 0.737 0.00 0.00 H+0 HETATM 67 H UNK 0 1.147 -0.766 0.340 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.008 -2.744 0.249 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.925 -1.734 0.892 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.713 0.724 2.115 0.00 0.00 H+0 HETATM 71 H UNK 0 -2.897 1.807 -0.133 0.00 0.00 H+0 HETATM 72 H UNK 0 -4.389 0.965 -0.436 0.00 0.00 H+0 HETATM 73 H UNK 0 -3.094 2.961 2.553 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.320 4.876 3.484 0.00 0.00 H+0 HETATM 75 H UNK 0 -6.420 5.656 2.425 0.00 0.00 H+0 HETATM 76 H UNK 0 -7.288 4.515 0.404 0.00 0.00 H+0 HETATM 77 H UNK 0 -6.080 2.592 -0.550 0.00 0.00 H+0 HETATM 78 H UNK 0 -6.121 0.650 1.398 0.00 0.00 H+0 HETATM 79 H UNK 0 -6.392 -0.647 -0.346 0.00 0.00 H+0 HETATM 80 H UNK 0 -5.511 -2.898 1.573 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.590 -1.689 -2.116 0.00 0.00 H+0 HETATM 82 H UNK 0 -3.496 -1.905 -3.382 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.037 -4.775 -0.557 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.099 -4.563 0.761 0.00 0.00 H+0 HETATM 85 H UNK 0 0.473 -2.588 -1.936 0.00 0.00 H+0 HETATM 86 H UNK 0 1.586 -1.356 -3.425 0.00 0.00 H+0 HETATM 87 H UNK 0 1.782 0.608 -4.893 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.059 2.267 -5.025 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.115 1.935 -3.678 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.345 -0.017 -2.219 0.00 0.00 H+0 HETATM 91 H UNK 0 4.980 1.988 -2.485 0.00 0.00 H+0 HETATM 92 H UNK 0 3.738 0.717 -2.663 0.00 0.00 H+0 HETATM 93 H UNK 0 3.367 2.415 -2.971 0.00 0.00 H+0 HETATM 94 H UNK 0 1.632 2.693 -1.394 0.00 0.00 H+0 HETATM 95 H UNK 0 1.678 0.952 -1.067 0.00 0.00 H+0 HETATM 96 H UNK 0 1.805 2.131 0.259 0.00 0.00 H+0 CONECT 1 2 50 51 52 CONECT 2 1 3 53 54 CONECT 3 2 4 5 55 CONECT 4 3 56 57 58 CONECT 5 3 6 47 59 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 12 CONECT 9 8 10 60 61 CONECT 10 9 11 62 63 CONECT 11 10 12 64 65 CONECT 12 11 13 8 66 CONECT 13 12 14 15 CONECT 14 13 CONECT 15 13 16 67 CONECT 16 15 17 40 68 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 69 CONECT 20 19 21 28 70 CONECT 21 20 22 71 72 CONECT 22 21 23 27 CONECT 23 22 24 73 CONECT 24 23 25 74 CONECT 25 24 26 75 CONECT 26 25 27 76 CONECT 27 26 22 77 CONECT 28 20 29 30 CONECT 29 28 CONECT 30 28 31 78 CONECT 31 30 32 79 CONECT 32 31 33 80 CONECT 33 32 34 38 CONECT 34 33 35 81 CONECT 35 34 36 82 CONECT 36 35 37 39 CONECT 37 36 38 83 CONECT 38 37 33 84 CONECT 39 36 40 CONECT 40 39 41 16 85 CONECT 41 40 42 46 CONECT 42 41 43 86 CONECT 43 42 44 87 CONECT 44 43 45 88 CONECT 45 44 46 89 CONECT 46 45 41 90 CONECT 47 5 48 49 CONECT 48 47 91 92 93 CONECT 49 47 94 95 96 CONECT 50 1 CONECT 51 1 CONECT 52 1 CONECT 53 2 CONECT 54 2 CONECT 55 3 CONECT 56 4 CONECT 57 4 CONECT 58 4 CONECT 59 5 CONECT 60 9 CONECT 61 9 CONECT 62 10 CONECT 63 10 CONECT 64 11 CONECT 65 11 CONECT 66 12 CONECT 67 15 CONECT 68 16 CONECT 69 19 CONECT 70 20 CONECT 71 21 CONECT 72 21 CONECT 73 23 CONECT 74 24 CONECT 75 25 CONECT 76 26 CONECT 77 27 CONECT 78 30 CONECT 79 31 CONECT 80 32 CONECT 81 34 CONECT 82 35 CONECT 83 37 CONECT 84 38 CONECT 85 40 CONECT 86 42 CONECT 87 43 CONECT 88 44 CONECT 89 45 CONECT 90 46 CONECT 91 48 CONECT 92 48 CONECT 93 48 CONECT 94 49 CONECT 95 49 CONECT 96 49 MASTER 0 0 0 0 0 0 0 0 96 0 200 0 END SMILES for NP0069201 (Jubanine C)[H]N(C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])\C([H])=C([H])\C2=C([H])C([H])=C(O[C@@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] INCHI for NP0069201 (Jubanine C)InChI=1/C39H47N5O5/c1-5-26(2)34(43(3)4)39(48)44-24-12-17-32(44)37(46)42-33-35(29-15-10-7-11-16-29)49-30-20-18-27(19-21-30)22-23-40-36(45)31(41-38(33)47)25-28-13-8-6-9-14-28/h6-11,13-16,18-23,26,31-35H,5,12,17,24-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b23-22+/t26-,31+,32+,33-,34-,35+/s2 3D Structure for NP0069201 (Jubanine C) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C39H47N5O5 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 665.8350 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 665.35772 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-N-[(3S,4R,7S,10E)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(2R,3R)-2-(dimethylamino)-3-methylpentanoyl]pyrrolidine-2-carboxamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-N-[(3S,4R,7S,10E)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-[(2R,3R)-2-(dimethylamino)-3-methylpentanoyl]pyrrolidine-2-carboxamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H]N(C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])\C([H])=C([H])\C2=C([H])C([H])=C(O[C@@]1([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])=C2[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1/C39H47N5O5/c1-5-26(2)34(43(3)4)39(48)44-24-12-17-32(44)37(46)42-33-35(29-15-10-7-11-16-29)49-30-20-18-27(19-21-30)22-23-40-36(45)31(41-38(33)47)25-28-13-8-6-9-14-28/h6-11,13-16,18-23,26,31-35H,5,12,17,24-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b23-22+/t26-,31+,32+,33-,34-,35+/s2 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | JMILOTKBOBTKBB-JSGDCEATNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 |
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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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||
