Showing NP-Card for Macrolactin L (NP0003710)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:53:08 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:47:10 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003710 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Macrolactin L | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Macrolactin L is found in Bacillus sp. PP19-H3. Based on a literature review very few articles have been published on 3,20,22-trihydroxy-7-methyl-4,5,6,7,9,14,18a,19,20,21,22,22a-dodecahydro-3H-8-benzoxacycloicosin-9-one. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0003710 (Macrolactin L)
Mrv1652306242117493D
63 64 0 0 0 0 999 V2000
5.0837 0.6718 -1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9344 0.0896 -0.6767 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5886 1.2463 0.2774 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3560 1.9612 -0.2826 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5319 2.6506 0.7393 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0169 2.5130 0.4942 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5567 3.7614 0.7561 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2573 2.1118 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 1.5140 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4664 1.1835 -0.2296 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6949 1.7368 -0.8427 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5935 1.8576 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9961 1.0994 -0.5489 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8627 -0.3994 -0.8512 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0916 -0.9603 -0.5002 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8501 -0.8951 0.1165 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4821 -0.2789 0.0274 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9038 -0.5832 1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3556 -1.7397 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2167 -2.8581 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 -2.9283 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7621 -1.9143 -0.3840 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2412 -1.2143 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1268 -1.6973 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 -2.9654 1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7753 -3.2882 0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3692 -2.3820 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8451 -3.0715 -1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3820 -1.0452 -0.0806 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6551 -0.1513 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7333 1.4414 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7872 1.1355 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 0.0185 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3379 0.8770 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4202 1.9481 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 1.1506 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6654 2.6246 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 2.3395 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7686 3.7328 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3673 1.8361 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 3.9633 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5121 2.3469 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5615 1.2203 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2745 1.7499 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7766 2.8077 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5433 0.9564 -2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7416 1.4786 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3311 1.2061 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6287 -0.5981 -1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2607 -0.6934 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7598 -2.0096 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2704 -0.6874 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 -0.8002 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9735 0.2367 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0385 -1.8100 2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8993 -3.7531 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -3.8555 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3667 -1.1902 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6374 -2.3738 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8433 -0.2022 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3277 -1.0291 2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4897 -3.7662 2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1692 -4.3257 0.8698 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
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 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
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 2 1 0 0 0 0
17 10 1 0 0 0 0
1 30 1 0 0 0 0
1 31 1 0 0 0 0
1 32 1 0 0 0 0
2 33 1 6 0 0 0
3 34 1 0 0 0 0
3 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
6 40 1 1 0 0 0
7 41 1 0 0 0 0
8 42 1 0 0 0 0
9 43 1 0 0 0 0
10 44 1 1 0 0 0
11 45 1 1 0 0 0
12 46 1 0 0 0 0
13 47 1 0 0 0 0
13 48 1 0 0 0 0
14 49 1 6 0 0 0
15 50 1 0 0 0 0
16 51 1 0 0 0 0
16 52 1 0 0 0 0
17 53 1 6 0 0 0
18 54 1 0 0 0 0
19 55 1 0 0 0 0
20 56 1 0 0 0 0
21 57 1 0 0 0 0
22 58 1 0 0 0 0
22 59 1 0 0 0 0
23 60 1 0 0 0 0
24 61 1 0 0 0 0
25 62 1 0 0 0 0
26 63 1 0 0 0 0
M END
3D MOL for NP0003710 (Macrolactin L)
RDKit 3D
63 64 0 0 0 0 0 0 0 0999 V2000
5.0837 0.6718 -1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9344 0.0896 -0.6767 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5886 1.2463 0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3560 1.9612 -0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5319 2.6506 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0169 2.5130 0.4942 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5567 3.7614 0.7561 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2573 2.1118 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 1.5140 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4664 1.1835 -0.2296 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6949 1.7368 -0.8427 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5935 1.8576 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9961 1.0994 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8627 -0.3994 -0.8512 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0916 -0.9603 -0.5002 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8501 -0.8951 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4821 -0.2789 0.0274 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9038 -0.5832 1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3556 -1.7397 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2167 -2.8581 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 -2.9283 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7621 -1.9143 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2412 -1.2143 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1268 -1.6973 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 -2.9654 1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7753 -3.2882 0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3692 -2.3820 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8451 -3.0715 -1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3820 -1.0452 -0.0806 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6551 -0.1513 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7333 1.4414 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7872 1.1355 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 0.0185 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3379 0.8770 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4202 1.9481 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 1.1506 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6654 2.6246 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 2.3395 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7686 3.7328 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3673 1.8361 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 3.9633 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5121 2.3469 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5615 1.2203 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2745 1.7499 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7766 2.8077 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5433 0.9564 -2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7416 1.4786 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3311 1.2061 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6287 -0.5981 -1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2607 -0.6934 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7598 -2.0096 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2704 -0.6874 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 -0.8002 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9735 0.2367 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0385 -1.8100 2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8993 -3.7531 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -3.8555 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3667 -1.1902 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6374 -2.3738 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8433 -0.2022 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3277 -1.0291 2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4897 -3.7662 2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1692 -4.3257 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 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
14 15 1 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
27 29 1 0
29 2 1 0
17 10 1 0
1 30 1 0
1 31 1 0
1 32 1 0
2 33 1 6
3 34 1 0
3 35 1 0
4 36 1 0
4 37 1 0
5 38 1 0
5 39 1 0
6 40 1 1
7 41 1 0
8 42 1 0
9 43 1 0
10 44 1 1
11 45 1 1
12 46 1 0
13 47 1 0
13 48 1 0
14 49 1 6
15 50 1 0
16 51 1 0
16 52 1 0
17 53 1 6
18 54 1 0
19 55 1 0
20 56 1 0
21 57 1 0
22 58 1 0
22 59 1 0
23 60 1 0
24 61 1 0
25 62 1 0
26 63 1 0
M END
3D SDF for NP0003710 (Macrolactin L)
Mrv1652306242117493D
63 64 0 0 0 0 999 V2000
5.0837 0.6718 -1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9344 0.0896 -0.6767 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5886 1.2463 0.2774 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3560 1.9612 -0.2826 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5319 2.6506 0.7393 C 0 0 1 0 0 0 0 0 0 0 0 0
0.0169 2.5130 0.4942 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5567 3.7614 0.7561 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2573 2.1118 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 1.5140 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4664 1.1835 -0.2296 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6949 1.7368 -0.8427 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5935 1.8576 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9961 1.0994 -0.5489 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8627 -0.3994 -0.8512 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0916 -0.9603 -0.5002 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8501 -0.8951 0.1165 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.4821 -0.2789 0.0274 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9038 -0.5832 1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3556 -1.7397 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2167 -2.8581 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 -2.9283 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7621 -1.9143 -0.3840 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2412 -1.2143 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1268 -1.6973 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 -2.9654 1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7753 -3.2882 0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3692 -2.3820 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8451 -3.0715 -1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3820 -1.0452 -0.0806 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6551 -0.1513 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7333 1.4414 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7872 1.1355 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 0.0185 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3379 0.8770 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4202 1.9481 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 1.1506 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6654 2.6246 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 2.3395 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7686 3.7328 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3673 1.8361 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 3.9633 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5121 2.3469 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5615 1.2203 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2745 1.7499 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7766 2.8077 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5433 0.9564 -2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7416 1.4786 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3311 1.2061 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6287 -0.5981 -1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2607 -0.6934 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7598 -2.0096 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2704 -0.6874 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 -0.8002 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9735 0.2367 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0385 -1.8100 2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8993 -3.7531 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -3.8555 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3667 -1.1902 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6374 -2.3738 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8433 -0.2022 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3277 -1.0291 2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4897 -3.7662 2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1692 -4.3257 0.8698 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
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 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
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 2 1 0 0 0 0
17 10 1 0 0 0 0
1 30 1 0 0 0 0
1 31 1 0 0 0 0
1 32 1 0 0 0 0
2 33 1 6 0 0 0
3 34 1 0 0 0 0
3 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
6 40 1 1 0 0 0
7 41 1 0 0 0 0
8 42 1 0 0 0 0
9 43 1 0 0 0 0
10 44 1 1 0 0 0
11 45 1 1 0 0 0
12 46 1 0 0 0 0
13 47 1 0 0 0 0
13 48 1 0 0 0 0
14 49 1 6 0 0 0
15 50 1 0 0 0 0
16 51 1 0 0 0 0
16 52 1 0 0 0 0
17 53 1 6 0 0 0
18 54 1 0 0 0 0
19 55 1 0 0 0 0
20 56 1 0 0 0 0
21 57 1 0 0 0 0
22 58 1 0 0 0 0
22 59 1 0 0 0 0
23 60 1 0 0 0 0
24 61 1 0 0 0 0
25 62 1 0 0 0 0
26 63 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003710
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@@]1([H])C([H])([H])[C@]([H])(O[H])[C@]2([H])\C([H])=C([H])/[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)\C([H])=C(\[H])/C(/[H])=C([H])\C([H])([H])\C([H])=C(\[H])/C(/[H])=C([H])\[C@@]2([H])C1([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C24H34O5/c1-18-10-9-12-20(25)14-15-22-19(16-21(26)17-23(22)27)11-7-5-3-2-4-6-8-13-24(28)29-18/h3-8,11,13-15,18-23,25-27H,2,9-10,12,16-17H2,1H3/b5-3-,6-4-,11-7-,13-8-,15-14-/t18-,19+,20-,21-,22-,23+/m1/s1
> <INCHI_KEY>
VSDXMNLTATZDCM-MTDQIYQHSA-N
> <FORMULA>
C24H34O5
> <MOLECULAR_WEIGHT>
402.531
> <EXACT_MASS>
402.240624195
> <JCHEM_ACCEPTOR_COUNT>
4
> <JCHEM_ATOM_COUNT>
63
> <JCHEM_AVERAGE_POLARIZABILITY>
44.44266412870837
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
3
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
1
> <JCHEM_IUPAC>
(3R,7R,18aR,20R,22S,22aR)-3,20,22-trihydroxy-7-methyl-4,5,6,7,9,14,18a,19,20,21,22,22a-dodecahydro-3H-8-benzoxacycloicosin-9-one
> <ALOGPS_LOGP>
3.38
> <JCHEM_LOGP>
3.0184877246666657
> <ALOGPS_LOGS>
-4.25
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
15.413795913021964
> <JCHEM_PKA_STRONGEST_ACIDIC>
14.637011535834795
> <JCHEM_PKA_STRONGEST_BASIC>
-1.6263391345988123
> <JCHEM_POLAR_SURFACE_AREA>
86.99
> <JCHEM_REFRACTIVITY>
120.53249999999998
> <JCHEM_ROTATABLE_BOND_COUNT>
0
> <JCHEM_RULE_OF_FIVE>
1
> <ALOGPS_SOLUBILITY>
2.26e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3R,7R,18aR,20R,22S,22aR)-3,20,22-trihydroxy-7-methyl-3,4,5,6,7,14,18a,19,20,21,22,22a-dodecahydro-8-benzoxacycloicosin-9-one
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003710 (Macrolactin L)
RDKit 3D
63 64 0 0 0 0 0 0 0 0999 V2000
5.0837 0.6718 -1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9344 0.0896 -0.6767 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5886 1.2463 0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3560 1.9612 -0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5319 2.6506 0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0169 2.5130 0.4942 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5567 3.7614 0.7561 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2573 2.1118 -0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 1.5140 -1.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4664 1.1835 -0.2296 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6949 1.7368 -0.8427 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5935 1.8576 -2.2390 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9961 1.0994 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8627 -0.3994 -0.8512 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0916 -0.9603 -0.5002 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8501 -0.8951 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4821 -0.2789 0.0274 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9038 -0.5832 1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3556 -1.7397 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2167 -2.8581 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2840 -2.9283 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7621 -1.9143 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2412 -1.2143 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1268 -1.6973 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 -2.9654 1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7753 -3.2882 0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3692 -2.3820 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8451 -3.0715 -1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3820 -1.0452 -0.0806 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6551 -0.1513 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7333 1.4414 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7872 1.1355 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0892 0.0185 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3379 0.8770 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4202 1.9481 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 1.1506 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6654 2.6246 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 2.3395 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7686 3.7328 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3673 1.8361 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5162 3.9633 1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5121 2.3469 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5615 1.2203 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2745 1.7499 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7766 2.8077 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5433 0.9564 -2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7416 1.4786 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3311 1.2061 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6287 -0.5981 -1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2607 -0.6934 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7598 -2.0096 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2704 -0.6874 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 -0.8002 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9735 0.2367 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0385 -1.8100 2.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8993 -3.7531 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -3.8555 -0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3667 -1.1902 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6374 -2.3738 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8433 -0.2022 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3277 -1.0291 2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4897 -3.7662 2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1692 -4.3257 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 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
14 15 1 0
14 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
27 29 1 0
29 2 1 0
17 10 1 0
1 30 1 0
1 31 1 0
1 32 1 0
2 33 1 6
3 34 1 0
3 35 1 0
4 36 1 0
4 37 1 0
5 38 1 0
5 39 1 0
6 40 1 1
7 41 1 0
8 42 1 0
9 43 1 0
10 44 1 1
11 45 1 1
12 46 1 0
13 47 1 0
13 48 1 0
14 49 1 6
15 50 1 0
16 51 1 0
16 52 1 0
17 53 1 6
18 54 1 0
19 55 1 0
20 56 1 0
21 57 1 0
22 58 1 0
22 59 1 0
23 60 1 0
24 61 1 0
25 62 1 0
26 63 1 0
M END
PDB for NP0003710 (Macrolactin L)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 5.084 0.672 -1.524 0.00 0.00 C+0 HETATM 2 C UNK 0 3.934 0.090 -0.677 0.00 0.00 C+0 HETATM 3 C UNK 0 3.589 1.246 0.277 0.00 0.00 C+0 HETATM 4 C UNK 0 2.356 1.961 -0.283 0.00 0.00 C+0 HETATM 5 C UNK 0 1.532 2.651 0.739 0.00 0.00 C+0 HETATM 6 C UNK 0 0.017 2.513 0.494 0.00 0.00 C+0 HETATM 7 O UNK 0 -0.557 3.761 0.756 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.257 2.112 -0.893 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.369 1.514 -1.220 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.466 1.184 -0.230 0.00 0.00 C+0 HETATM 11 C UNK 0 -3.695 1.737 -0.843 0.00 0.00 C+0 HETATM 12 O UNK 0 -3.594 1.858 -2.239 0.00 0.00 O+0 HETATM 13 C UNK 0 -4.996 1.099 -0.549 0.00 0.00 C+0 HETATM 14 C UNK 0 -4.863 -0.399 -0.851 0.00 0.00 C+0 HETATM 15 O UNK 0 -6.092 -0.960 -0.500 0.00 0.00 O+0 HETATM 16 C UNK 0 -3.850 -0.895 0.117 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.482 -0.279 0.027 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.904 -0.583 1.402 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.356 -1.740 1.709 0.00 0.00 C+0 HETATM 20 C UNK 0 -1.217 -2.858 0.822 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.284 -2.928 -0.099 0.00 0.00 C+0 HETATM 22 C UNK 0 0.762 -1.914 -0.384 0.00 0.00 C+0 HETATM 23 C UNK 0 1.241 -1.214 0.802 0.00 0.00 C+0 HETATM 24 C UNK 0 2.127 -1.697 1.649 0.00 0.00 C+0 HETATM 25 C UNK 0 2.792 -2.965 1.592 0.00 0.00 C+0 HETATM 26 C UNK 0 3.775 -3.288 0.776 0.00 0.00 C+0 HETATM 27 C UNK 0 4.369 -2.382 -0.228 0.00 0.00 C+0 HETATM 28 O UNK 0 4.845 -3.071 -1.210 0.00 0.00 O+0 HETATM 29 O UNK 0 4.382 -1.045 -0.081 0.00 0.00 O+0 HETATM 30 H UNK 0 5.655 -0.151 -1.999 0.00 0.00 H+0 HETATM 31 H UNK 0 4.733 1.441 -2.210 0.00 0.00 H+0 HETATM 32 H UNK 0 5.787 1.135 -0.772 0.00 0.00 H+0 HETATM 33 H UNK 0 3.089 0.019 -1.393 0.00 0.00 H+0 HETATM 34 H UNK 0 3.338 0.877 1.286 0.00 0.00 H+0 HETATM 35 H UNK 0 4.420 1.948 0.401 0.00 0.00 H+0 HETATM 36 H UNK 0 1.755 1.151 -0.746 0.00 0.00 H+0 HETATM 37 H UNK 0 2.665 2.625 -1.117 0.00 0.00 H+0 HETATM 38 H UNK 0 1.761 2.340 1.779 0.00 0.00 H+0 HETATM 39 H UNK 0 1.769 3.733 0.685 0.00 0.00 H+0 HETATM 40 H UNK 0 -0.367 1.836 1.264 0.00 0.00 H+0 HETATM 41 H UNK 0 -0.516 3.963 1.714 0.00 0.00 H+0 HETATM 42 H UNK 0 0.512 2.347 -1.674 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.562 1.220 -2.243 0.00 0.00 H+0 HETATM 44 H UNK 0 -2.275 1.750 0.720 0.00 0.00 H+0 HETATM 45 H UNK 0 -3.777 2.808 -0.473 0.00 0.00 H+0 HETATM 46 H UNK 0 -3.543 0.956 -2.640 0.00 0.00 H+0 HETATM 47 H UNK 0 -5.742 1.479 -1.272 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.331 1.206 0.492 0.00 0.00 H+0 HETATM 49 H UNK 0 -4.629 -0.598 -1.895 0.00 0.00 H+0 HETATM 50 H UNK 0 -6.261 -0.693 0.447 0.00 0.00 H+0 HETATM 51 H UNK 0 -3.760 -2.010 0.101 0.00 0.00 H+0 HETATM 52 H UNK 0 -4.270 -0.687 1.146 0.00 0.00 H+0 HETATM 53 H UNK 0 -1.897 -0.800 -0.765 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.974 0.237 2.130 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.038 -1.810 2.776 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.899 -3.753 0.931 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.302 -3.856 -0.723 0.00 0.00 H+0 HETATM 58 H UNK 0 0.367 -1.190 -1.109 0.00 0.00 H+0 HETATM 59 H UNK 0 1.637 -2.374 -0.893 0.00 0.00 H+0 HETATM 60 H UNK 0 0.843 -0.202 0.992 0.00 0.00 H+0 HETATM 61 H UNK 0 2.328 -1.029 2.516 0.00 0.00 H+0 HETATM 62 H UNK 0 2.490 -3.766 2.319 0.00 0.00 H+0 HETATM 63 H UNK 0 4.169 -4.326 0.870 0.00 0.00 H+0 CONECT 1 2 30 31 32 CONECT 2 1 3 29 33 CONECT 3 2 4 34 35 CONECT 4 3 5 36 37 CONECT 5 4 6 38 39 CONECT 6 5 7 8 40 CONECT 7 6 41 CONECT 8 6 9 42 CONECT 9 8 10 43 CONECT 10 9 11 17 44 CONECT 11 10 12 13 45 CONECT 12 11 46 CONECT 13 11 14 47 48 CONECT 14 13 15 16 49 CONECT 15 14 50 CONECT 16 14 17 51 52 CONECT 17 16 18 10 53 CONECT 18 17 19 54 CONECT 19 18 20 55 CONECT 20 19 21 56 CONECT 21 20 22 57 CONECT 22 21 23 58 59 CONECT 23 22 24 60 CONECT 24 23 25 61 CONECT 25 24 26 62 CONECT 26 25 27 63 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 2 CONECT 30 1 CONECT 31 1 CONECT 32 1 CONECT 33 2 CONECT 34 3 CONECT 35 3 CONECT 36 4 CONECT 37 4 CONECT 38 5 CONECT 39 5 CONECT 40 6 CONECT 41 7 CONECT 42 8 CONECT 43 9 CONECT 44 10 CONECT 45 11 CONECT 46 12 CONECT 47 13 CONECT 48 13 CONECT 49 14 CONECT 50 15 CONECT 51 16 CONECT 52 16 CONECT 53 17 CONECT 54 18 CONECT 55 19 CONECT 56 20 CONECT 57 21 CONECT 58 22 CONECT 59 22 CONECT 60 23 CONECT 61 24 CONECT 62 25 CONECT 63 26 MASTER 0 0 0 0 0 0 0 0 63 0 128 0 END SMILES for NP0003710 (Macrolactin L)[H]O[C@@]1([H])C([H])([H])[C@]([H])(O[H])[C@]2([H])\C([H])=C([H])/[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)\C([H])=C(\[H])/C(/[H])=C([H])\C([H])([H])\C([H])=C(\[H])/C(/[H])=C([H])\[C@@]2([H])C1([H])[H])C([H])([H])[H] INCHI for NP0003710 (Macrolactin L)InChI=1S/C24H34O5/c1-18-10-9-12-20(25)14-15-22-19(16-21(26)17-23(22)27)11-7-5-3-2-4-6-8-13-24(28)29-18/h3-8,11,13-15,18-23,25-27H,2,9-10,12,16-17H2,1H3/b5-3-,6-4-,11-7-,13-8-,15-14-/t18-,19+,20-,21-,22-,23+/m1/s1 3D Structure for NP0003710 (Macrolactin L) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C24H34O5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 402.5310 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 402.24062 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3R,7R,18aR,20R,22S,22aR)-3,20,22-trihydroxy-7-methyl-4,5,6,7,9,14,18a,19,20,21,22,22a-dodecahydro-3H-8-benzoxacycloicosin-9-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3R,7R,18aR,20R,22S,22aR)-3,20,22-trihydroxy-7-methyl-3,4,5,6,7,14,18a,19,20,21,22,22a-dodecahydro-8-benzoxacycloicosin-9-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC1CCCC(O)\C=C/C2C(O)CC(O)CC2\C=C/C=C\C\C=C/C=C\C(=O)O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C24H34O5/c1-18-10-9-12-20(25)14-15-22-19(16-21(26)17-23(22)27)11-7-5-3-2-4-6-8-13-24(28)29-18/h3-8,11,13-15,18-23,25-27H,2,9-10,12,16-17H2,1H3/b5-3-,6-4-,11-7-,13-8-,15-14- | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | VSDXMNLTATZDCM-MTDQIYQHSA-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 |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA005506 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | 101716363 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
