Showing NP-Card for Voatriafricanine B (NP0331495)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2023-02-08 04:01:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-03 04:15:55 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0331495 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/0455 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Voatriafricanine B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Voatriafricanine B was first documented in 2021 (PMID: 34569237). Based on a literature review very few articles have been published on methyl (2R,6R,17R,21S,22R,24R,26S,30S,36R,43R,44S,45R)-40-[(1R,12S,14R,15E,18S)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0³,¹¹.0⁴,⁹]Octadeca-3(11),4,6,8-tetraen-12-yl]-41,43-dihydroxy-11-methoxy-20,28-dioxa-1,3,13,33-tetraazatridecacyclo[22.18.1.1³,⁶.1²⁶,³³.0²,²².0⁶,¹⁴.0⁷,¹².0¹⁷,²¹.0²⁶,³⁰.0³⁶,⁴³.0³⁷,⁴².0¹⁷,⁴⁵.0³⁶,⁴⁴]Pentatetraconta-7(12),8,10,14,37(42),38,40-heptaene-15-carboxylate. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0331495 (Voatriafricanine B)
Mrv1652310172220272D
87103 0 0 1 0 999 V2000
1.4289 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1336 -0.0547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0049 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7402 1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2547 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9484 -0.1841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4679 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2827 0.3274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0974 0.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8021 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6169 0.8389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4317 0.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1364 1.4799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3396 1.6937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0077 2.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7429 2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2575 2.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9512 1.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4706 1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2854 1.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8049 2.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6197 2.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5096 3.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0290 3.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5807 1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3508 0.7956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3073 -0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5103 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2964 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8795 -1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6765 -1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8904 -0.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6874 -0.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2705 -0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0613 0.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1900 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4547 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7270 -0.0608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2465 0.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7660 1.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9122 0.0686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2076 -0.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3928 -0.5723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3045 -1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8876 -2.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6846 -1.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6738 -2.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8768 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2937 -2.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5075 -1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0585 -1.0838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1872 -1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4520 -2.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7243 -1.5953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9095 -1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6142 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2437 -0.9544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5390 -1.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5780 -0.4429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7632 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2569 -3.5268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0546 -3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8805 -3.5003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0240 -2.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8334 -4.2573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0087 -4.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5778 -3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6149 -5.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0458 -5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9197 -5.0108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1052 -5.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1097 -5.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2969 -5.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9475 -4.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1288 -4.4226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9721 -5.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2654 -5.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2806 -6.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0026 -6.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7093 -6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6941 -5.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7838 -4.9492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2179 -5.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2139 -4.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7466 -3.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1437 -2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7160 -2.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
6 5 1 6 0 0 0
2 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 6 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 6 0 0 0
11 13 1 0 0 0 0
13 14 1 1 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
18 17 1 6 0 0 0
13 18 1 0 0 0 0
18 19 1 0 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 1 0 0 0 0
20 25 2 0 0 0 0
25 26 1 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
30 31 1 0 0 0 0
31 32 2 0 0 0 0
27 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
35 28 1 6 0 0 0
25 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
18 39 1 0 0 0 0
35 39 1 0 0 0 0
39 40 1 6 0 0 0
38 41 1 0 0 0 0
11 41 1 0 0 0 0
41 42 1 1 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
44 50 1 0 0 0 0
51 50 1 6 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
2 56 1 0 0 0 0
54 57 1 0 0 0 0
6 57 1 0 0 0 0
51 57 1 0 0 0 0
57 58 1 6 0 0 0
51 59 1 0 0 0 0
8 59 1 0 0 0 0
43 59 1 0 0 0 0
59 60 1 1 0 0 0
61 47 1 6 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 6 0 0 0
63 65 1 0 0 0 0
65 66 1 1 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
68 69 1 0 0 0 0
65 70 1 0 0 0 0
70 71 1 1 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
61 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
77 78 1 0 0 0 0
78 79 2 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
73 81 1 0 0 0 0
76 81 1 0 0 0 0
70 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
63 85 1 0 0 0 0
85 86 2 0 0 0 0
86 87 1 0 0 0 0
M END
3D SDF for NP0331495 (Voatriafricanine B)
Mrv1652310172220272D
87103 0 0 1 0 999 V2000
1.4289 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1336 -0.0547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0049 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7402 1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2547 0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9484 -0.1841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4679 0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2827 0.3274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0974 0.1980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8021 0.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6169 0.8389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4317 0.7095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1364 1.4799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3396 1.6937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0077 2.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7429 2.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2575 2.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9512 1.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4706 1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2854 1.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8049 2.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6197 2.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5096 3.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0290 3.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5807 1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3508 0.7956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3073 -0.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5103 -0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2964 -1.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8795 -1.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6765 -1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8904 -0.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6874 -0.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2705 -0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0613 0.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1900 -0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4547 -0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7270 -0.0608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2465 0.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7660 1.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9122 0.0686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2076 -0.7017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3928 -0.5723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3045 -1.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8876 -2.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6846 -1.9332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6738 -2.9431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8768 -3.1563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2937 -2.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5075 -1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0585 -1.0838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1872 -1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4520 -2.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7243 -1.5953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9095 -1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6142 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2437 -0.9544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5390 -1.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5780 -0.4429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7632 -0.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2569 -3.5268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0546 -3.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8805 -3.5003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0240 -2.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8334 -4.2573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0087 -4.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5778 -3.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6149 -5.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0458 -5.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9197 -5.0108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1052 -5.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1097 -5.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2969 -5.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9475 -4.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1288 -4.4226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9721 -5.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2654 -5.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2806 -6.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0026 -6.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7093 -6.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6941 -5.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7838 -4.9492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2179 -5.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2139 -4.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7466 -3.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1437 -2.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7160 -2.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
6 5 1 6 0 0 0
2 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 6 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 6 0 0 0
11 13 1 0 0 0 0
13 14 1 1 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
18 17 1 6 0 0 0
13 18 1 0 0 0 0
18 19 1 0 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 1 0 0 0 0
20 25 2 0 0 0 0
25 26 1 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
30 31 1 0 0 0 0
31 32 2 0 0 0 0
27 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
35 28 1 6 0 0 0
25 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
18 39 1 0 0 0 0
35 39 1 0 0 0 0
39 40 1 6 0 0 0
38 41 1 0 0 0 0
11 41 1 0 0 0 0
41 42 1 1 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
44 50 1 0 0 0 0
51 50 1 6 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
2 56 1 0 0 0 0
54 57 1 0 0 0 0
6 57 1 0 0 0 0
51 57 1 0 0 0 0
57 58 1 6 0 0 0
51 59 1 0 0 0 0
8 59 1 0 0 0 0
43 59 1 0 0 0 0
59 60 1 1 0 0 0
61 47 1 6 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 6 0 0 0
63 65 1 0 0 0 0
65 66 1 1 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
68 69 1 0 0 0 0
65 70 1 0 0 0 0
70 71 1 1 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
61 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
77 78 1 0 0 0 0
78 79 2 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
73 81 1 0 0 0 0
76 81 1 0 0 0 0
70 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
63 85 1 0 0 0 0
85 86 2 0 0 0 0
86 87 1 0 0 0 0
M END
> <DATABASE_ID>
NP0331495
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H][C@@]12COC[C@@]11C[C@@]3([H])C[C@@]4([H])[C@]5([H])OCC[C@@]55CC(C(=O)OC)=C6NC7=C(C=CC=C7OC)[C@@]66CCN([C@@]56[H])[C@]4([H])N4C5=C(O)C(=CC=C5[C@@]5(CCN(CC2)[C@@]15[H])[C@]34O)[C@@H]1C[C@]2([H])[C@H](C(=O)OC)[C@@]([H])(CC3=C1NC1=CC=CC=C31)N(C)C\C2=C\C
> <INCHI_IDENTIFIER>
InChI=1S/C63H72N6O9/c1-6-32-29-66(2)45-26-39-35-10-7-8-12-44(35)64-48(39)38(25-37(32)47(45)56(72)76-5)36-14-15-43-50(51(36)70)69-54-40(24-34-27-60-31-77-30-33(60)16-20-67-21-18-62(43,58(60)67)63(34,69)73)53-59(19-23-78-53)28-41(55(71)75-4)52-61(17-22-68(54)57(59)61)42-11-9-13-46(74-3)49(42)65-52/h6-15,33-34,37-38,40,45,47,53-54,57-58,64-65,70,73H,16-31H2,1-5H3/b32-6-/t33-,34-,37+,38+,40+,45-,47+,53+,54-,57+,58+,59-,60+,61+,62-,63-/m1/s1
> <INCHI_KEY>
KOBAJGFSKHDCOW-XICISDNBSA-N
> <FORMULA>
C63H72N6O9
> <MOLECULAR_WEIGHT>
1057.302
> <EXACT_MASS>
1056.536077922
> <JCHEM_ACCEPTOR_COUNT>
12
> <JCHEM_ATOM_COUNT>
150
> <JCHEM_AVERAGE_POLARIZABILITY>
117.62925454978918
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
4
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
methyl (2R,6R,17R,21S,22R,24R,26S,30S,36R,43R,44S,45R)-40-[(1R,12S,14R,15E,18S)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-41,43-dihydroxy-11-methoxy-20,28-dioxa-1,3,13,33-tetraazatridecacyclo[22.18.1.1^{3,6}.1^{26,33}.0^{2,22}.0^{6,14}.0^{7,12}.0^{17,21}.0^{26,30}.0^{36,43}.0^{37,42}.0^{17,45}.0^{36,44}]pentatetraconta-7(12),8,10,14,37,39,41-heptaene-15-carboxylate
> <ALOGPS_LOGP>
5.61
> <JCHEM_LOGP>
5.35256864416199
> <ALOGPS_LOGS>
-4.15
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
17
> <JCHEM_PHYSIOLOGICAL_CHARGE>
3
> <JCHEM_PKA>
12.134666833151199
> <JCHEM_PKA_STRONGEST_ACIDIC>
10.28796556939886
> <JCHEM_PKA_STRONGEST_BASIC>
9.563053565430272
> <JCHEM_POLAR_SURFACE_AREA>
161.53
> <JCHEM_REFRACTIVITY>
296.79380000000003
> <JCHEM_ROTATABLE_BOND_COUNT>
6
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
7.42e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
methyl (2R,6R,17R,21S,22R,24R,26S,30S,36R,43R,44S,45R)-40-[(1R,12S,14R,15E,18S)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-41,43-dihydroxy-11-methoxy-20,28-dioxa-1,3,13,33-tetraazatridecacyclo[22.18.1.1^{3,6}.1^{26,33}.0^{2,22}.0^{6,14}.0^{7,12}.0^{17,21}.0^{26,30}.0^{36,43}.0^{37,42}.0^{17,45}.0^{36,44}]pentatetraconta-7(12),8,10,14,37,39,41-heptaene-15-carboxylate
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0331495 (Voatriafricanine B)HEADER PROTEIN 17-OCT-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 17-OCT-22 0 HETATM 1 H UNK 0 2.667 -1.540 0.000 0.00 0.00 H+0 HETATM 2 C UNK 0 2.116 -0.102 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 1.876 1.419 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 3.248 2.118 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 4.209 1.204 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 3.637 -0.344 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 4.607 0.853 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 6.128 0.611 0.000 0.00 0.00 C+0 HETATM 9 H UNK 0 7.649 0.370 0.000 0.00 0.00 H+0 HETATM 10 C UNK 0 7.097 1.808 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 8.618 1.566 0.000 0.00 0.00 C+0 HETATM 12 H UNK 0 10.139 1.324 0.000 0.00 0.00 H+0 HETATM 13 C UNK 0 9.588 2.762 0.000 0.00 0.00 C+0 HETATM 14 H UNK 0 8.101 3.162 0.000 0.00 0.00 H+0 HETATM 15 O UNK 0 9.348 4.284 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 10.720 4.982 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 11.681 4.069 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 11.109 2.521 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 12.079 3.717 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 13.599 3.476 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 14.569 4.672 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 16.090 4.430 0.000 0.00 0.00 O+0 HETATM 23 O UNK 0 14.018 6.110 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 14.988 7.306 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 14.151 2.038 0.000 0.00 0.00 C+0 HETATM 26 N UNK 0 15.588 1.485 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 15.507 -0.053 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 14.019 -0.451 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 13.620 -1.938 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 14.708 -3.027 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 16.196 -2.629 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 16.595 -1.142 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 18.083 -0.744 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 19.172 -1.834 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 13.181 0.841 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 13.421 -0.680 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 12.049 -1.378 0.000 0.00 0.00 C+0 HETATM 38 N UNK 0 10.690 -0.113 0.000 0.00 0.00 N+0 HETATM 39 C UNK 0 11.660 1.083 0.000 0.00 0.00 C+0 HETATM 40 H UNK 0 12.630 2.279 0.000 0.00 0.00 H+0 HETATM 41 C UNK 0 9.170 0.128 0.000 0.00 0.00 C+0 HETATM 42 H UNK 0 9.721 -1.310 0.000 0.00 0.00 H+0 HETATM 43 N UNK 0 8.200 -1.068 0.000 0.00 0.00 N+0 HETATM 44 C UNK 0 8.035 -2.917 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 9.124 -4.007 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 10.611 -3.609 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 8.724 -5.494 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 7.237 -5.892 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 6.148 -4.802 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 6.547 -3.315 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 5.709 -2.023 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 5.949 -3.544 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 4.577 -4.243 0.000 0.00 0.00 C+0 HETATM 54 N UNK 0 3.219 -2.978 0.000 0.00 0.00 N+0 HETATM 55 C UNK 0 1.698 -2.736 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 1.146 -1.298 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 4.188 -1.782 0.000 0.00 0.00 C+0 HETATM 58 H UNK 0 4.740 -3.220 0.000 0.00 0.00 H+0 HETATM 59 C UNK 0 6.679 -0.827 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 5.158 -0.585 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 9.813 -6.583 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 11.302 -6.005 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 12.844 -6.534 0.000 0.00 0.00 C+0 HETATM 64 H UNK 0 13.111 -5.017 0.000 0.00 0.00 H+0 HETATM 65 C UNK 0 12.756 -7.947 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 11.216 -7.987 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 10.412 -6.674 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 10.481 -9.340 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 11.285 -10.653 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 12.917 -9.353 0.000 0.00 0.00 C+0 HETATM 71 H UNK 0 13.263 -10.854 0.000 0.00 0.00 H+0 HETATM 72 C UNK 0 11.405 -9.962 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 9.888 -9.461 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 9.235 -8.066 0.000 0.00 0.00 C+0 HETATM 75 N UNK 0 7.707 -8.256 0.000 0.00 0.00 N+0 HETATM 76 C UNK 0 7.415 -9.768 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 6.095 -10.562 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 6.124 -12.102 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 7.471 -12.847 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 8.791 -12.053 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 8.762 -10.513 0.000 0.00 0.00 C+0 HETATM 82 N UNK 0 14.530 -9.238 0.000 0.00 0.00 N+0 HETATM 83 C UNK 0 15.340 -10.548 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 15.333 -7.880 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 14.460 -6.565 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 15.202 -5.215 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 14.403 -3.898 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 6 56 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 2 7 57 CONECT 7 6 8 CONECT 8 7 9 10 59 CONECT 9 8 CONECT 10 8 11 CONECT 11 10 12 13 41 CONECT 12 11 CONECT 13 11 14 15 18 CONECT 14 13 CONECT 15 13 16 CONECT 16 15 17 CONECT 17 16 18 CONECT 18 17 13 19 39 CONECT 19 18 20 CONECT 20 19 21 25 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 CONECT 24 23 CONECT 25 20 26 35 CONECT 26 25 27 CONECT 27 26 28 32 CONECT 28 27 29 35 CONECT 29 28 30 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 27 33 CONECT 33 32 34 CONECT 34 33 CONECT 35 28 25 36 39 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 41 CONECT 39 38 18 35 40 CONECT 40 39 CONECT 41 38 11 42 43 CONECT 42 41 CONECT 43 41 44 59 CONECT 44 43 45 50 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 61 CONECT 48 47 49 CONECT 49 48 50 CONECT 50 49 44 51 CONECT 51 50 52 57 59 CONECT 52 51 53 CONECT 53 52 54 CONECT 54 53 55 57 CONECT 55 54 56 CONECT 56 55 2 CONECT 57 54 6 51 58 CONECT 58 57 CONECT 59 51 8 43 60 CONECT 60 59 CONECT 61 47 62 74 CONECT 62 61 63 CONECT 63 62 64 65 85 CONECT 64 63 CONECT 65 63 66 70 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 69 CONECT 69 68 CONECT 70 65 71 72 82 CONECT 71 70 CONECT 72 70 73 CONECT 73 72 74 81 CONECT 74 73 61 75 CONECT 75 74 76 CONECT 76 75 77 81 CONECT 77 76 78 CONECT 78 77 79 CONECT 79 78 80 CONECT 80 79 81 CONECT 81 80 73 76 CONECT 82 70 83 84 CONECT 83 82 CONECT 84 82 85 CONECT 85 84 63 86 CONECT 86 85 87 CONECT 87 86 MASTER 0 0 0 0 0 0 0 0 87 0 206 0 END SMILES for NP0331495 (Voatriafricanine B)[H][C@@]12COC[C@@]11C[C@@]3([H])C[C@@]4([H])[C@]5([H])OCC[C@@]55CC(C(=O)OC)=C6NC7=C(C=CC=C7OC)[C@@]66CCN([C@@]56[H])[C@]4([H])N4C5=C(O)C(=CC=C5[C@@]5(CCN(CC2)[C@@]15[H])[C@]34O)[C@@H]1C[C@]2([H])[C@H](C(=O)OC)[C@@]([H])(CC3=C1NC1=CC=CC=C31)N(C)C\C2=C\C INCHI for NP0331495 (Voatriafricanine B)InChI=1S/C63H72N6O9/c1-6-32-29-66(2)45-26-39-35-10-7-8-12-44(35)64-48(39)38(25-37(32)47(45)56(72)76-5)36-14-15-43-50(51(36)70)69-54-40(24-34-27-60-31-77-30-33(60)16-20-67-21-18-62(43,58(60)67)63(34,69)73)53-59(19-23-78-53)28-41(55(71)75-4)52-61(17-22-68(54)57(59)61)42-11-9-13-46(74-3)49(42)65-52/h6-15,33-34,37-38,40,45,47,53-54,57-58,64-65,70,73H,16-31H2,1-5H3/b32-6-/t33-,34-,37+,38+,40+,45-,47+,53+,54-,57+,58+,59-,60+,61+,62-,63-/m1/s1 3D Structure for NP0331495 (Voatriafricanine B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C63H72N6O9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1057.3020 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1056.53608 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | methyl (2R,6R,17R,21S,22R,24R,26S,30S,36R,43R,44S,45R)-40-[(1R,12S,14R,15E,18S)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-41,43-dihydroxy-11-methoxy-20,28-dioxa-1,3,13,33-tetraazatridecacyclo[22.18.1.1^{3,6}.1^{26,33}.0^{2,22}.0^{6,14}.0^{7,12}.0^{17,21}.0^{26,30}.0^{36,43}.0^{37,42}.0^{17,45}.0^{36,44}]pentatetraconta-7(12),8,10,14,37,39,41-heptaene-15-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | methyl (2R,6R,17R,21S,22R,24R,26S,30S,36R,43R,44S,45R)-40-[(1R,12S,14R,15E,18S)-15-ethylidene-18-(methoxycarbonyl)-17-methyl-10,17-diazatetracyclo[12.3.1.0^{3,11}.0^{4,9}]octadeca-3(11),4,6,8-tetraen-12-yl]-41,43-dihydroxy-11-methoxy-20,28-dioxa-1,3,13,33-tetraazatridecacyclo[22.18.1.1^{3,6}.1^{26,33}.0^{2,22}.0^{6,14}.0^{7,12}.0^{17,21}.0^{26,30}.0^{36,43}.0^{37,42}.0^{17,45}.0^{36,44}]pentatetraconta-7(12),8,10,14,37,39,41-heptaene-15-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H][C@@]12COC[C@@]11C[C@@]3([H])C[C@@]4([H])[C@]5([H])OCC[C@@]55CC(C(=O)OC)=C6NC7=C(C=CC=C7OC)[C@@]66CCN([C@@]56[H])[C@]4([H])N4C5=C(O)C(=CC=C5[C@@]5(CCN(CC2)[C@@]15[H])[C@]34O)[C@@H]1C[C@]2([H])[C@H](C(=O)OC)[C@@]([H])(CC3=C1NC1=CC=CC=C31)N(C)C\C2=C\C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C63H72N6O9/c1-6-32-29-66(2)45-26-39-35-10-7-8-12-44(35)64-48(39)38(25-37(32)47(45)56(72)76-5)36-14-15-43-50(51(36)70)69-54-40(24-34-27-60-31-77-30-33(60)16-20-67-21-18-62(43,58(60)67)63(34,69)73)53-59(19-23-78-53)28-41(55(71)75-4)52-61(17-22-68(54)57(59)61)42-11-9-13-46(74-3)49(42)65-52/h6-15,33-34,37-38,40,45,47,53-54,57-58,64-65,70,73H,16-31H2,1-5H3/b32-6-/t33-,34-,37+,38+,40+,45-,47+,53+,54-,57+,58+,59-,60+,61+,62-,63-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | KOBAJGFSKHDCOW-XICISDNBSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| 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 |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
