Showing NP-Card for Rubrumazine B (NP0013855)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 23:09:21 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:15:39 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0013855 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Rubrumazine B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Rubrumazine B is found in Eurotium. Based on a literature review very few articles have been published on (3Z,6S)-3-({7-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl}methylidene)-6-methyl-3,6-dihydropyrazine-2,5-diol. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0013855 (Rubrumazine B)
Mrv1652306242119503D
62 64 0 0 0 0 999 V2000
-0.5697 3.8599 3.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2237 2.8719 2.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2460 2.2232 1.5483 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1612 1.3866 2.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 3.3560 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6193 1.4278 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6827 1.2811 0.2125 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 0.4765 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9970 0.0391 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3463 0.4103 -1.0273 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7113 -0.5788 0.0425 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7824 -0.5500 1.0605 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0745 -0.2882 0.6410 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3660 -1.3411 1.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1152 -0.4516 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1221 0.9475 1.2486 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9042 -0.7780 -2.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6692 -1.1650 -3.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4559 -0.7429 -2.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3584 0.0731 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2775 0.6653 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 0.6052 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3817 -0.5286 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7460 -1.7859 -0.4106 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5558 -2.9675 -0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1030 -4.0319 0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 -3.0002 -0.9785 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8915 -3.1933 -2.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5547 -1.7543 -0.6604 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8414 -0.5349 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4218 0.5865 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 4.3467 3.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5704 4.2548 3.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7970 2.5518 2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7510 0.4100 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 1.9508 3.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1781 1.3501 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1709 3.1847 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7434 4.3480 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8746 3.3531 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4925 1.7120 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3332 1.4611 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1043 0.4273 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7052 -1.5861 -0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 0.1464 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4980 -2.0396 1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5242 -0.8932 2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2265 -1.9659 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7040 -1.0971 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0457 -0.9324 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3779 0.5219 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6424 1.5777 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.0774 -3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6330 -1.7974 -4.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4419 -1.0317 -2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2975 1.5245 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 -1.8289 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5005 -3.8282 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5880 -4.0251 -2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8673 -3.5868 -2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1047 -2.2558 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5827 -1.6930 -0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
3 2 1 1 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 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
11 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 1 0 0 0
9 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 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 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
21 6 2 0 0 0 0
30 23 1 0 0 0 0
20 8 1 0 0 0 0
1 32 1 0 0 0 0
1 33 1 0 0 0 0
2 34 1 0 0 0 0
4 35 1 0 0 0 0
4 36 1 0 0 0 0
4 37 1 0 0 0 0
5 38 1 0 0 0 0
5 39 1 0 0 0 0
5 40 1 0 0 0 0
7 41 1 0 0 0 0
10 42 1 0 0 0 0
10 43 1 0 0 0 0
11 44 1 6 0 0 0
12 45 1 0 0 0 0
14 46 1 0 0 0 0
14 47 1 0 0 0 0
14 48 1 0 0 0 0
15 49 1 0 0 0 0
15 50 1 0 0 0 0
15 51 1 0 0 0 0
16 52 1 0 0 0 0
17 53 1 0 0 0 0
18 54 1 0 0 0 0
19 55 1 0 0 0 0
22 56 1 0 0 0 0
24 57 1 0 0 0 0
27 58 1 1 0 0 0
28 59 1 0 0 0 0
28 60 1 0 0 0 0
28 61 1 0 0 0 0
29 62 1 0 0 0 0
M END
3D MOL for NP0013855 (Rubrumazine B)
RDKit 3D
62 64 0 0 0 0 0 0 0 0999 V2000
-0.5697 3.8599 3.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2237 2.8719 2.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2460 2.2232 1.5483 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1612 1.3866 2.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 3.3560 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6193 1.4278 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6827 1.2811 0.2125 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 0.4765 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9970 0.0391 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3463 0.4103 -1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7113 -0.5788 0.0425 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7824 -0.5500 1.0605 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0745 -0.2882 0.6410 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3660 -1.3411 1.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1152 -0.4516 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1221 0.9475 1.2486 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9042 -0.7780 -2.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6692 -1.1650 -3.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4559 -0.7429 -2.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3584 0.0731 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2775 0.6653 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 0.6052 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3817 -0.5286 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7460 -1.7859 -0.4106 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5558 -2.9675 -0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1030 -4.0319 0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 -3.0002 -0.9785 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8915 -3.1933 -2.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5547 -1.7543 -0.6604 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8414 -0.5349 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4218 0.5865 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 4.3467 3.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5704 4.2548 3.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7970 2.5518 2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7510 0.4100 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 1.9508 3.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1781 1.3501 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1709 3.1847 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7434 4.3480 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8746 3.3531 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4925 1.7120 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3332 1.4611 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1043 0.4273 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7052 -1.5861 -0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 0.1464 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4980 -2.0396 1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5242 -0.8932 2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2265 -1.9659 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7040 -1.0971 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0457 -0.9324 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3779 0.5219 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6424 1.5777 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.0774 -3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6330 -1.7974 -4.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4419 -1.0317 -2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2975 1.5245 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 -1.8289 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5005 -3.8282 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5880 -4.0251 -2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8673 -3.5868 -2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1047 -2.2558 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5827 -1.6930 -0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
3 2 1 1
3 4 1 0
3 5 1 0
3 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 1 0
11 13 1 0
13 14 1 0
13 15 1 0
13 16 1 1
9 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 1 0
25 26 2 0
25 27 1 0
27 28 1 0
27 29 1 0
29 30 1 0
30 31 2 0
21 6 2 0
30 23 1 0
20 8 1 0
1 32 1 0
1 33 1 0
2 34 1 0
4 35 1 0
4 36 1 0
4 37 1 0
5 38 1 0
5 39 1 0
5 40 1 0
7 41 1 0
10 42 1 0
10 43 1 0
11 44 1 6
12 45 1 0
14 46 1 0
14 47 1 0
14 48 1 0
15 49 1 0
15 50 1 0
15 51 1 0
16 52 1 0
17 53 1 0
18 54 1 0
19 55 1 0
22 56 1 0
24 57 1 0
27 58 1 1
28 59 1 0
28 60 1 0
28 61 1 0
29 62 1 0
M END
3D SDF for NP0013855 (Rubrumazine B)
Mrv1652306242119503D
62 64 0 0 0 0 999 V2000
-0.5697 3.8599 3.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2237 2.8719 2.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2460 2.2232 1.5483 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1612 1.3866 2.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 3.3560 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6193 1.4278 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6827 1.2811 0.2125 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 0.4765 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9970 0.0391 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3463 0.4103 -1.0273 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7113 -0.5788 0.0425 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7824 -0.5500 1.0605 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0745 -0.2882 0.6410 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3660 -1.3411 1.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1152 -0.4516 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1221 0.9475 1.2486 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9042 -0.7780 -2.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6692 -1.1650 -3.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4559 -0.7429 -2.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3584 0.0731 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2775 0.6653 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 0.6052 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3817 -0.5286 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7460 -1.7859 -0.4106 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5558 -2.9675 -0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1030 -4.0319 0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 -3.0002 -0.9785 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8915 -3.1933 -2.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5547 -1.7543 -0.6604 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8414 -0.5349 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4218 0.5865 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 4.3467 3.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5704 4.2548 3.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7970 2.5518 2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7510 0.4100 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 1.9508 3.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1781 1.3501 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1709 3.1847 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7434 4.3480 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8746 3.3531 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4925 1.7120 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3332 1.4611 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1043 0.4273 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7052 -1.5861 -0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 0.1464 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4980 -2.0396 1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5242 -0.8932 2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2265 -1.9659 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7040 -1.0971 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0457 -0.9324 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3779 0.5219 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6424 1.5777 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.0774 -3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6330 -1.7974 -4.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4419 -1.0317 -2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2975 1.5245 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 -1.8289 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5005 -3.8282 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5880 -4.0251 -2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8673 -3.5868 -2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1047 -2.2558 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5827 -1.6930 -0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
3 2 1 1 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 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
11 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 1 0 0 0
9 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 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 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
21 6 2 0 0 0 0
30 23 1 0 0 0 0
20 8 1 0 0 0 0
1 32 1 0 0 0 0
1 33 1 0 0 0 0
2 34 1 0 0 0 0
4 35 1 0 0 0 0
4 36 1 0 0 0 0
4 37 1 0 0 0 0
5 38 1 0 0 0 0
5 39 1 0 0 0 0
5 40 1 0 0 0 0
7 41 1 0 0 0 0
10 42 1 0 0 0 0
10 43 1 0 0 0 0
11 44 1 6 0 0 0
12 45 1 0 0 0 0
14 46 1 0 0 0 0
14 47 1 0 0 0 0
14 48 1 0 0 0 0
15 49 1 0 0 0 0
15 50 1 0 0 0 0
15 51 1 0 0 0 0
16 52 1 0 0 0 0
17 53 1 0 0 0 0
18 54 1 0 0 0 0
19 55 1 0 0 0 0
22 56 1 0 0 0 0
24 57 1 0 0 0 0
27 58 1 1 0 0 0
28 59 1 0 0 0 0
28 60 1 0 0 0 0
28 61 1 0 0 0 0
29 62 1 0 0 0 0
M END
> <DATABASE_ID>
NP0013855
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@@]([H])(C([H])([H])C1=C2N([H])C(=C(\C([H])=C3/N([H])C(=O)[C@@]([H])(N([H])C3=O)C([H])([H])[H])C2=C([H])C([H])=C1[H])C(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-17-22(30)25-13(2)21(29)26-17)15-10-8-9-14(19(15)27-20)11-18(28)24(5,6)31/h7-10,12-13,18,27-28,31H,1,11H2,2-6H3,(H,25,30)(H,26,29)/b17-12-/t13-,18-/m0/s1
> <INCHI_KEY>
BGZGVRPXCLBHLM-NRXXELKWSA-N
> <FORMULA>
C24H31N3O4
> <MOLECULAR_WEIGHT>
425.529
> <EXACT_MASS>
425.23145649
> <JCHEM_ACCEPTOR_COUNT>
4
> <JCHEM_ATOM_COUNT>
62
> <JCHEM_AVERAGE_POLARIZABILITY>
47.205894049093914
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
5
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
1
> <JCHEM_IUPAC>
(3Z,6S)-3-({7-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl}methylidene)-6-methylpiperazine-2,5-dione
> <ALOGPS_LOGP>
2.78
> <JCHEM_LOGP>
1.7784492423333333
> <ALOGPS_LOGS>
-4.41
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
13.740435548060255
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.5099051255897
> <JCHEM_PKA_STRONGEST_BASIC>
-1.05681032074851
> <JCHEM_POLAR_SURFACE_AREA>
114.44999999999999
> <JCHEM_REFRACTIVITY>
121.64769999999997
> <JCHEM_ROTATABLE_BOND_COUNT>
6
> <JCHEM_RULE_OF_FIVE>
1
> <ALOGPS_SOLUBILITY>
1.67e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3Z,6S)-3-({7-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl}methylidene)-6-methylpiperazine-2,5-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0013855 (Rubrumazine B)
RDKit 3D
62 64 0 0 0 0 0 0 0 0999 V2000
-0.5697 3.8599 3.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2237 2.8719 2.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2460 2.2232 1.5483 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1612 1.3866 2.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 3.3560 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6193 1.4278 0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6827 1.2811 0.2125 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8824 0.4765 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9970 0.0391 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3463 0.4103 -1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7113 -0.5788 0.0425 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7824 -0.5500 1.0605 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0745 -0.2882 0.6410 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3660 -1.3411 1.6921 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1152 -0.4516 -0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1221 0.9475 1.2486 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9042 -0.7780 -2.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6692 -1.1650 -3.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4559 -0.7429 -2.4777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3584 0.0731 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2775 0.6653 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 0.6052 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3817 -0.5286 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7460 -1.7859 -0.4106 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5558 -2.9675 -0.4089 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1030 -4.0319 0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9140 -3.0002 -0.9785 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8915 -3.1933 -2.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5547 -1.7543 -0.6604 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8414 -0.5349 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4218 0.5865 -0.7994 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1843 4.3467 3.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5704 4.2548 3.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7970 2.5518 2.3469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7510 0.4100 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 1.9508 3.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1781 1.3501 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1709 3.1847 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7434 4.3480 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8746 3.3531 -0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4925 1.7120 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3332 1.4611 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1043 0.4273 -1.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7052 -1.5861 -0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 0.1464 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4980 -2.0396 1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5242 -0.8932 2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2265 -1.9659 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7040 -1.0971 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0457 -0.9324 -0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3779 0.5219 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6424 1.5777 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8343 -1.0774 -3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6330 -1.7974 -4.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4419 -1.0317 -2.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2975 1.5245 -0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7265 -1.8289 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5005 -3.8282 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5880 -4.0251 -2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8673 -3.5868 -2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1047 -2.2558 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5827 -1.6930 -0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
3 2 1 1
3 4 1 0
3 5 1 0
3 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 1 0
11 13 1 0
13 14 1 0
13 15 1 0
13 16 1 1
9 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 1 0
25 26 2 0
25 27 1 0
27 28 1 0
27 29 1 0
29 30 1 0
30 31 2 0
21 6 2 0
30 23 1 0
20 8 1 0
1 32 1 0
1 33 1 0
2 34 1 0
4 35 1 0
4 36 1 0
4 37 1 0
5 38 1 0
5 39 1 0
5 40 1 0
7 41 1 0
10 42 1 0
10 43 1 0
11 44 1 6
12 45 1 0
14 46 1 0
14 47 1 0
14 48 1 0
15 49 1 0
15 50 1 0
15 51 1 0
16 52 1 0
17 53 1 0
18 54 1 0
19 55 1 0
22 56 1 0
24 57 1 0
27 58 1 1
28 59 1 0
28 60 1 0
28 61 1 0
29 62 1 0
M END
PDB for NP0013855 (Rubrumazine B)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 -0.570 3.860 3.187 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.224 2.872 2.380 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.246 2.223 1.548 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.161 1.387 2.405 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.101 3.356 0.956 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.619 1.428 0.475 0.00 0.00 C+0 HETATM 7 N UNK 0 0.683 1.281 0.213 0.00 0.00 N+0 HETATM 8 C UNK 0 0.882 0.477 -0.868 0.00 0.00 C+0 HETATM 9 C UNK 0 1.997 0.039 -1.553 0.00 0.00 C+0 HETATM 10 C UNK 0 3.346 0.410 -1.027 0.00 0.00 C+0 HETATM 11 C UNK 0 3.711 -0.579 0.043 0.00 0.00 C+0 HETATM 12 O UNK 0 2.782 -0.550 1.061 0.00 0.00 O+0 HETATM 13 C UNK 0 5.074 -0.288 0.641 0.00 0.00 C+0 HETATM 14 C UNK 0 5.366 -1.341 1.692 0.00 0.00 C+0 HETATM 15 C UNK 0 6.115 -0.452 -0.456 0.00 0.00 C+0 HETATM 16 O UNK 0 5.122 0.948 1.249 0.00 0.00 O+0 HETATM 17 C UNK 0 1.904 -0.778 -2.689 0.00 0.00 C+0 HETATM 18 C UNK 0 0.669 -1.165 -3.146 0.00 0.00 C+0 HETATM 19 C UNK 0 -0.456 -0.743 -2.478 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.358 0.073 -1.344 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.278 0.665 -0.507 0.00 0.00 C+0 HETATM 22 C UNK 0 -2.710 0.605 -0.589 0.00 0.00 C+0 HETATM 23 C UNK 0 -3.382 -0.529 -0.548 0.00 0.00 C+0 HETATM 24 N UNK 0 -2.746 -1.786 -0.411 0.00 0.00 N+0 HETATM 25 C UNK 0 -3.556 -2.967 -0.409 0.00 0.00 C+0 HETATM 26 O UNK 0 -3.103 -4.032 0.097 0.00 0.00 O+0 HETATM 27 C UNK 0 -4.914 -3.000 -0.979 0.00 0.00 C+0 HETATM 28 C UNK 0 -4.891 -3.193 -2.478 0.00 0.00 C+0 HETATM 29 N UNK 0 -5.555 -1.754 -0.660 0.00 0.00 N+0 HETATM 30 C UNK 0 -4.841 -0.535 -0.676 0.00 0.00 C+0 HETATM 31 O UNK 0 -5.422 0.587 -0.799 0.00 0.00 O+0 HETATM 32 H UNK 0 0.184 4.347 3.807 0.00 0.00 H+0 HETATM 33 H UNK 0 -1.570 4.255 3.304 0.00 0.00 H+0 HETATM 34 H UNK 0 0.797 2.552 2.347 0.00 0.00 H+0 HETATM 35 H UNK 0 -1.751 0.410 2.676 0.00 0.00 H+0 HETATM 36 H UNK 0 -2.283 1.951 3.374 0.00 0.00 H+0 HETATM 37 H UNK 0 -3.178 1.350 1.963 0.00 0.00 H+0 HETATM 38 H UNK 0 -3.171 3.185 1.107 0.00 0.00 H+0 HETATM 39 H UNK 0 -1.743 4.348 1.294 0.00 0.00 H+0 HETATM 40 H UNK 0 -1.875 3.353 -0.151 0.00 0.00 H+0 HETATM 41 H UNK 0 1.492 1.712 0.716 0.00 0.00 H+0 HETATM 42 H UNK 0 3.333 1.461 -0.611 0.00 0.00 H+0 HETATM 43 H UNK 0 4.104 0.427 -1.840 0.00 0.00 H+0 HETATM 44 H UNK 0 3.705 -1.586 -0.448 0.00 0.00 H+0 HETATM 45 H UNK 0 3.058 0.146 1.708 0.00 0.00 H+0 HETATM 46 H UNK 0 4.498 -2.040 1.801 0.00 0.00 H+0 HETATM 47 H UNK 0 5.524 -0.893 2.705 0.00 0.00 H+0 HETATM 48 H UNK 0 6.226 -1.966 1.424 0.00 0.00 H+0 HETATM 49 H UNK 0 5.704 -1.097 -1.267 0.00 0.00 H+0 HETATM 50 H UNK 0 7.046 -0.932 -0.084 0.00 0.00 H+0 HETATM 51 H UNK 0 6.378 0.522 -0.906 0.00 0.00 H+0 HETATM 52 H UNK 0 5.642 1.578 0.683 0.00 0.00 H+0 HETATM 53 H UNK 0 2.834 -1.077 -3.171 0.00 0.00 H+0 HETATM 54 H UNK 0 0.633 -1.797 -4.028 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.442 -1.032 -2.813 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.297 1.525 -0.692 0.00 0.00 H+0 HETATM 57 H UNK 0 -1.726 -1.829 -0.295 0.00 0.00 H+0 HETATM 58 H UNK 0 -5.500 -3.828 -0.526 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.588 -4.025 -2.774 0.00 0.00 H+0 HETATM 60 H UNK 0 -3.867 -3.587 -2.744 0.00 0.00 H+0 HETATM 61 H UNK 0 -5.105 -2.256 -3.023 0.00 0.00 H+0 HETATM 62 H UNK 0 -6.583 -1.693 -0.402 0.00 0.00 H+0 CONECT 1 2 32 33 CONECT 2 1 3 34 CONECT 3 2 4 5 6 CONECT 4 3 35 36 37 CONECT 5 3 38 39 40 CONECT 6 3 7 21 CONECT 7 6 8 41 CONECT 8 7 9 20 CONECT 9 8 10 17 CONECT 10 9 11 42 43 CONECT 11 10 12 13 44 CONECT 12 11 45 CONECT 13 11 14 15 16 CONECT 14 13 46 47 48 CONECT 15 13 49 50 51 CONECT 16 13 52 CONECT 17 9 18 53 CONECT 18 17 19 54 CONECT 19 18 20 55 CONECT 20 19 21 8 CONECT 21 20 22 6 CONECT 22 21 23 56 CONECT 23 22 24 30 CONECT 24 23 25 57 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 29 58 CONECT 28 27 59 60 61 CONECT 29 27 30 62 CONECT 30 29 31 23 CONECT 31 30 CONECT 32 1 CONECT 33 1 CONECT 34 2 CONECT 35 4 CONECT 36 4 CONECT 37 4 CONECT 38 5 CONECT 39 5 CONECT 40 5 CONECT 41 7 CONECT 42 10 CONECT 43 10 CONECT 44 11 CONECT 45 12 CONECT 46 14 CONECT 47 14 CONECT 48 14 CONECT 49 15 CONECT 50 15 CONECT 51 15 CONECT 52 16 CONECT 53 17 CONECT 54 18 CONECT 55 19 CONECT 56 22 CONECT 57 24 CONECT 58 27 CONECT 59 28 CONECT 60 28 CONECT 61 28 CONECT 62 29 MASTER 0 0 0 0 0 0 0 0 62 0 128 0 END SMILES for NP0013855 (Rubrumazine B)[H]O[C@@]([H])(C([H])([H])C1=C2N([H])C(=C(\C([H])=C3/N([H])C(=O)[C@@]([H])(N([H])C3=O)C([H])([H])[H])C2=C([H])C([H])=C1[H])C(C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0013855 (Rubrumazine B)InChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-17-22(30)25-13(2)21(29)26-17)15-10-8-9-14(19(15)27-20)11-18(28)24(5,6)31/h7-10,12-13,18,27-28,31H,1,11H2,2-6H3,(H,25,30)(H,26,29)/b17-12-/t13-,18-/m0/s1 3D Structure for NP0013855 (Rubrumazine B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C24H31N3O4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 425.5290 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 425.23146 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3Z,6S)-3-({7-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl}methylidene)-6-methylpiperazine-2,5-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3Z,6S)-3-({7-[(2S)-2,3-dihydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl}methylidene)-6-methylpiperazine-2,5-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@@H]1NC(=O)\C(NC1=O)=C\C1=C(NC2=C1C=CC=C2C[C@H](O)C(C)(C)O)C(C)(C)C=C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C24H31N3O4/c1-7-23(3,4)20-16(12-17-22(30)25-13(2)21(29)26-17)15-10-8-9-14(19(15)27-20)11-18(28)24(5,6)31/h7-10,12-13,18,27-28,31H,1,11H2,2-6H3,(H,25,30)(H,26,29)/b17-12-/t13-,18-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | BGZGVRPXCLBHLM-NRXXELKWSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA012829 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 35516924 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 118734972 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
