Showing NP-Card for pinillidine (NP0025230)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-06-19 17:24:34 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-06-29 23:50:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0025230 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | pinillidine | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | JEOL Database![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | pinillidine is found in Phaeolus schweinitzii, Pholiota squarrosa and Phellinus pini. pinillidine was first documented in 2007 (Wangun, H.V.K., et al.). Based on a literature review very few articles have been published on 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}ethyl)-4-hydroxy-2H-pyran-2-one. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0025230 (pinillidine)
Mrv1652306192119243D
60 63 0 0 0 0 999 V2000
-0.9322 0.4754 3.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4743 0.4363 1.8982 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0201 -0.7455 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1931 -1.3228 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3117 -0.8685 1.6705 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -2.5166 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5464 -3.0655 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3829 -4.2748 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3434 -4.8456 -1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1458 -6.0684 -2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 -7.1695 -2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 -8.3337 -3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8620 -8.3963 -4.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7551 -9.5042 -5.0881 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5898 -7.3157 -4.7841 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1675 -7.3885 -6.0198 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7419 -6.1577 -4.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8280 -2.4804 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0950 -1.3357 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1924 -0.7824 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 1.7504 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3741 2.3897 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6571 1.9069 0.4644 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2174 3.6841 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0153 4.2674 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7695 5.5781 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4252 6.1922 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 7.5206 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8500 7.7603 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1228 9.0146 -2.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1922 10.0343 -2.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3980 11.2815 -2.8498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0076 9.8096 -1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8984 10.8219 -1.4883 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2703 8.5678 -1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1089 3.6177 0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 2.3730 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9935 1.7660 1.4549 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -0.4712 3.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1421 0.6517 3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 1.2718 3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5442 0.2817 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2868 0.1138 1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 -2.9500 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 -4.7237 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -4.3996 -2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -7.1355 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2854 -9.1678 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2265 -10.1676 -4.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9299 -8.2781 -6.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3169 -5.3315 -4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6444 0.9252 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0949 4.1642 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6359 6.0729 -1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3099 5.7070 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5820 6.9629 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0551 9.1679 -3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 11.2817 -3.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 11.5820 -1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 8.4347 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
12 13 2 0 0 0 0
10 11 2 0 0 0 0
13 15 1 0 0 0 0
9 10 1 0 0 0 0
15 17 2 0 0 0 0
24 22 1 0 0 0 0
25 36 1 0 0 0 0
36 37 1 0 0 0 0
37 21 1 0 0 0 0
21 22 2 0 0 0 0
6 4 1 0 0 0 0
25 26 1 0 0 0 0
7 18 1 0 0 0 0
26 27 2 0 0 0 0
18 19 1 0 0 0 0
27 28 1 0 0 0 0
19 3 1 0 0 0 0
37 38 2 0 0 0 0
3 4 2 0 0 0 0
28 35 2 0 0 0 0
17 10 1 0 0 0 0
35 33 1 0 0 0 0
7 8 1 0 0 0 0
33 31 2 0 0 0 0
11 12 1 0 0 0 0
31 30 1 0 0 0 0
19 20 2 0 0 0 0
30 29 2 0 0 0 0
29 28 1 0 0 0 0
13 14 1 0 0 0 0
31 32 1 0 0 0 0
4 5 1 0 0 0 0
33 34 1 0 0 0 0
6 7 2 0 0 0 0
22 23 1 0 0 0 0
21 2 1 0 0 0 0
8 9 2 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
24 25 2 0 0 0 0
15 16 1 0 0 0 0
9 46 1 0 0 0 0
11 47 1 0 0 0 0
12 48 1 0 0 0 0
17 51 1 0 0 0 0
14 49 1 0 0 0 0
6 44 1 0 0 0 0
8 45 1 0 0 0 0
5 43 1 0 0 0 0
2 42 1 0 0 0 0
24 53 1 0 0 0 0
26 54 1 0 0 0 0
27 55 1 0 0 0 0
35 60 1 0 0 0 0
30 57 1 0 0 0 0
29 56 1 0 0 0 0
32 58 1 0 0 0 0
34 59 1 0 0 0 0
23 52 1 0 0 0 0
1 39 1 0 0 0 0
1 40 1 0 0 0 0
1 41 1 0 0 0 0
16 50 1 0 0 0 0
M END
3D MOL for NP0025230 (pinillidine)
RDKit 3D
60 63 0 0 0 0 0 0 0 0999 V2000
-0.9322 0.4754 3.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4743 0.4363 1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0201 -0.7455 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1931 -1.3228 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3117 -0.8685 1.6705 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -2.5166 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5464 -3.0655 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3829 -4.2748 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3434 -4.8456 -1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1458 -6.0684 -2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 -7.1695 -2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 -8.3337 -3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8620 -8.3963 -4.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7551 -9.5042 -5.0881 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5898 -7.3157 -4.7841 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1675 -7.3885 -6.0198 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7419 -6.1577 -4.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8280 -2.4804 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0950 -1.3357 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1924 -0.7824 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 1.7504 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3741 2.3897 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6571 1.9069 0.4644 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2174 3.6841 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0153 4.2674 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7695 5.5781 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4252 6.1922 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 7.5206 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8500 7.7603 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1228 9.0146 -2.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1922 10.0343 -2.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3980 11.2815 -2.8498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0076 9.8096 -1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8984 10.8219 -1.4883 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2703 8.5678 -1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1089 3.6177 0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 2.3730 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9935 1.7660 1.4549 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -0.4712 3.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1421 0.6517 3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 1.2718 3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5442 0.2817 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2868 0.1138 1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 -2.9500 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 -4.7237 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -4.3996 -2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -7.1355 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2854 -9.1678 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2265 -10.1676 -4.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9299 -8.2781 -6.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3169 -5.3315 -4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6444 0.9252 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0949 4.1642 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6359 6.0729 -1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3099 5.7070 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5820 6.9629 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0551 9.1679 -3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 11.2817 -3.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 11.5820 -1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 8.4347 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
12 13 2 0
10 11 2 0
13 15 1 0
9 10 1 0
15 17 2 0
24 22 1 0
25 36 1 0
36 37 1 0
37 21 1 0
21 22 2 0
6 4 1 0
25 26 1 0
7 18 1 0
26 27 2 0
18 19 1 0
27 28 1 0
19 3 1 0
37 38 2 0
3 4 2 0
28 35 2 0
17 10 1 0
35 33 1 0
7 8 1 0
33 31 2 0
11 12 1 0
31 30 1 0
19 20 2 0
30 29 2 0
29 28 1 0
13 14 1 0
31 32 1 0
4 5 1 0
33 34 1 0
6 7 2 0
22 23 1 0
21 2 1 0
8 9 2 0
3 2 1 0
2 1 1 0
24 25 2 0
15 16 1 0
9 46 1 0
11 47 1 0
12 48 1 0
17 51 1 0
14 49 1 0
6 44 1 0
8 45 1 0
5 43 1 0
2 42 1 0
24 53 1 0
26 54 1 0
27 55 1 0
35 60 1 0
30 57 1 0
29 56 1 0
32 58 1 0
34 59 1 0
23 52 1 0
1 39 1 0
1 40 1 0
1 41 1 0
16 50 1 0
M END
3D SDF for NP0025230 (pinillidine)
Mrv1652306192119243D
60 63 0 0 0 0 999 V2000
-0.9322 0.4754 3.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4743 0.4363 1.8982 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0201 -0.7455 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1931 -1.3228 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3117 -0.8685 1.6705 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -2.5166 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5464 -3.0655 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3829 -4.2748 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3434 -4.8456 -1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1458 -6.0684 -2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 -7.1695 -2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 -8.3337 -3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8620 -8.3963 -4.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7551 -9.5042 -5.0881 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5898 -7.3157 -4.7841 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1675 -7.3885 -6.0198 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7419 -6.1577 -4.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8280 -2.4804 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0950 -1.3357 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1924 -0.7824 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 1.7504 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3741 2.3897 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6571 1.9069 0.4644 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2174 3.6841 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0153 4.2674 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7695 5.5781 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4252 6.1922 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 7.5206 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8500 7.7603 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1228 9.0146 -2.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1922 10.0343 -2.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3980 11.2815 -2.8498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0076 9.8096 -1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8984 10.8219 -1.4883 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2703 8.5678 -1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1089 3.6177 0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 2.3730 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9935 1.7660 1.4549 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -0.4712 3.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1421 0.6517 3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 1.2718 3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5442 0.2817 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2868 0.1138 1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 -2.9500 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 -4.7237 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -4.3996 -2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -7.1355 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2854 -9.1678 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2265 -10.1676 -4.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9299 -8.2781 -6.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3169 -5.3315 -4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6444 0.9252 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0949 4.1642 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6359 6.0729 -1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3099 5.7070 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5820 6.9629 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0551 9.1679 -3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 11.2817 -3.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 11.5820 -1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 8.4347 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
12 13 2 0 0 0 0
10 11 2 0 0 0 0
13 15 1 0 0 0 0
9 10 1 0 0 0 0
15 17 2 0 0 0 0
24 22 1 0 0 0 0
25 36 1 0 0 0 0
36 37 1 0 0 0 0
37 21 1 0 0 0 0
21 22 2 0 0 0 0
6 4 1 0 0 0 0
25 26 1 0 0 0 0
7 18 1 0 0 0 0
26 27 2 0 0 0 0
18 19 1 0 0 0 0
27 28 1 0 0 0 0
19 3 1 0 0 0 0
37 38 2 0 0 0 0
3 4 2 0 0 0 0
28 35 2 0 0 0 0
17 10 1 0 0 0 0
35 33 1 0 0 0 0
7 8 1 0 0 0 0
33 31 2 0 0 0 0
11 12 1 0 0 0 0
31 30 1 0 0 0 0
19 20 2 0 0 0 0
30 29 2 0 0 0 0
29 28 1 0 0 0 0
13 14 1 0 0 0 0
31 32 1 0 0 0 0
4 5 1 0 0 0 0
33 34 1 0 0 0 0
6 7 2 0 0 0 0
22 23 1 0 0 0 0
21 2 1 0 0 0 0
8 9 2 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
24 25 2 0 0 0 0
15 16 1 0 0 0 0
9 46 1 0 0 0 0
11 47 1 0 0 0 0
12 48 1 0 0 0 0
17 51 1 0 0 0 0
14 49 1 0 0 0 0
6 44 1 0 0 0 0
8 45 1 0 0 0 0
5 43 1 0 0 0 0
2 42 1 0 0 0 0
24 53 1 0 0 0 0
26 54 1 0 0 0 0
27 55 1 0 0 0 0
35 60 1 0 0 0 0
30 57 1 0 0 0 0
29 56 1 0 0 0 0
32 58 1 0 0 0 0
34 59 1 0 0 0 0
23 52 1 0 0 0 0
1 39 1 0 0 0 0
1 40 1 0 0 0 0
1 41 1 0 0 0 0
16 50 1 0 0 0 0
M END
> <DATABASE_ID>
NP0025230
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C(O[H])=C(C(=O)O2)C([H])(C2=C(O[H])C([H])=C(OC2=O)C(\[H])=C(/[H])C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C([H])([H])[H])C([H])=C1O[H]
> <INCHI_IDENTIFIER>
InChI=1S/C28H22O10/c1-14(25-23(33)12-17(37-27(25)35)6-2-15-4-8-19(29)21(31)10-15)26-24(34)13-18(38-28(26)36)7-3-16-5-9-20(30)22(32)11-16/h2-14,29-34H,1H3/b6-2+,7-3+
> <INCHI_KEY>
AVRSGNZNZIKDCF-YPCIICBESA-N
> <FORMULA>
C28H22O10
> <MOLECULAR_WEIGHT>
518.474
> <EXACT_MASS>
518.121296908
> <JCHEM_ACCEPTOR_COUNT>
8
> <JCHEM_ATOM_COUNT>
60
> <JCHEM_AVERAGE_POLARIZABILITY>
52.87365366907582
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
6
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}ethyl)-4-hydroxy-2H-pyran-2-one
> <ALOGPS_LOGP>
3.60
> <JCHEM_LOGP>
4.008889191999999
> <ALOGPS_LOGS>
-4.86
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
4
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
7.381204949213021
> <JCHEM_PKA_STRONGEST_ACIDIC>
6.700695437219172
> <JCHEM_PKA_STRONGEST_BASIC>
-6.280776990209099
> <JCHEM_POLAR_SURFACE_AREA>
173.98
> <JCHEM_REFRACTIVITY>
142.7622
> <JCHEM_ROTATABLE_BOND_COUNT>
6
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
7.10e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}ethyl)-4-hydroxypyran-2-one
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0025230 (pinillidine)
RDKit 3D
60 63 0 0 0 0 0 0 0 0999 V2000
-0.9322 0.4754 3.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4743 0.4363 1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0201 -0.7455 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1931 -1.3228 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3117 -0.8685 1.6705 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4390 -2.5166 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5464 -3.0655 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3829 -4.2748 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3434 -4.8456 -1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1458 -6.0684 -2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 -7.1695 -2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2772 -8.3337 -3.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8620 -8.3963 -4.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7551 -9.5042 -5.0881 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5898 -7.3157 -4.7841 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1675 -7.3885 -6.0198 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7419 -6.1577 -4.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8280 -2.4804 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0950 -1.3357 0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1924 -0.7824 0.1221 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 1.7504 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3741 2.3897 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6571 1.9069 0.4644 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2174 3.6841 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0153 4.2674 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7695 5.5781 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4252 6.1922 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6487 7.5206 -1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8500 7.7603 -1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1228 9.0146 -2.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1922 10.0343 -2.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3980 11.2815 -2.8498 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0076 9.8096 -1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8984 10.8219 -1.4883 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2703 8.5678 -1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1089 3.6177 0.5100 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0004 2.3730 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9935 1.7660 1.4549 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -0.4712 3.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1421 0.6517 3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 1.2718 3.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5442 0.2817 2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2868 0.1138 1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4336 -2.9500 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 -4.7237 -1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -4.3996 -2.0496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -7.1355 -1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2854 -9.1678 -2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2265 -10.1676 -4.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9299 -8.2781 -6.3492 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3169 -5.3315 -4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6444 0.9252 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0949 4.1642 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6359 6.0729 -1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3099 5.7070 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5820 6.9629 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0551 9.1679 -3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 11.2817 -3.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 11.5820 -1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1951 8.4347 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
12 13 2 0
10 11 2 0
13 15 1 0
9 10 1 0
15 17 2 0
24 22 1 0
25 36 1 0
36 37 1 0
37 21 1 0
21 22 2 0
6 4 1 0
25 26 1 0
7 18 1 0
26 27 2 0
18 19 1 0
27 28 1 0
19 3 1 0
37 38 2 0
3 4 2 0
28 35 2 0
17 10 1 0
35 33 1 0
7 8 1 0
33 31 2 0
11 12 1 0
31 30 1 0
19 20 2 0
30 29 2 0
29 28 1 0
13 14 1 0
31 32 1 0
4 5 1 0
33 34 1 0
6 7 2 0
22 23 1 0
21 2 1 0
8 9 2 0
3 2 1 0
2 1 1 0
24 25 2 0
15 16 1 0
9 46 1 0
11 47 1 0
12 48 1 0
17 51 1 0
14 49 1 0
6 44 1 0
8 45 1 0
5 43 1 0
2 42 1 0
24 53 1 0
26 54 1 0
27 55 1 0
35 60 1 0
30 57 1 0
29 56 1 0
32 58 1 0
34 59 1 0
23 52 1 0
1 39 1 0
1 40 1 0
1 41 1 0
16 50 1 0
M END
PDB for NP0025230 (pinillidine)HEADER PROTEIN 19-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 19-JUN-21 0 HETATM 1 C UNK 0 -0.932 0.475 3.340 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.474 0.436 1.898 0.00 0.00 C+0 HETATM 3 C UNK 0 -1.020 -0.746 1.056 0.00 0.00 C+0 HETATM 4 C UNK 0 0.193 -1.323 1.020 0.00 0.00 C+0 HETATM 5 O UNK 0 1.312 -0.869 1.671 0.00 0.00 O+0 HETATM 6 C UNK 0 0.439 -2.517 0.266 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.546 -3.066 -0.450 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.383 -4.275 -1.231 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.343 -4.846 -1.977 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.146 -6.068 -2.768 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.425 -7.170 -2.273 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.277 -8.334 -3.037 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.862 -8.396 -4.294 0.00 0.00 C+0 HETATM 14 O UNK 0 -0.755 -9.504 -5.088 0.00 0.00 O+0 HETATM 15 C UNK 0 -1.590 -7.316 -4.784 0.00 0.00 C+0 HETATM 16 O UNK 0 -2.167 -7.388 -6.020 0.00 0.00 O+0 HETATM 17 C UNK 0 -1.742 -6.158 -4.033 0.00 0.00 C+0 HETATM 18 O UNK 0 -1.828 -2.480 -0.489 0.00 0.00 O+0 HETATM 19 C UNK 0 -2.095 -1.336 0.202 0.00 0.00 C+0 HETATM 20 O UNK 0 -3.192 -0.782 0.122 0.00 0.00 O+0 HETATM 21 C UNK 0 -1.348 1.750 1.148 0.00 0.00 C+0 HETATM 22 C UNK 0 -2.374 2.390 0.558 0.00 0.00 C+0 HETATM 23 O UNK 0 -3.657 1.907 0.464 0.00 0.00 O+0 HETATM 24 C UNK 0 -2.217 3.684 -0.035 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.015 4.267 -0.041 0.00 0.00 C+0 HETATM 26 C UNK 0 -0.770 5.578 -0.606 0.00 0.00 C+0 HETATM 27 C UNK 0 0.425 6.192 -0.636 0.00 0.00 C+0 HETATM 28 C UNK 0 0.649 7.521 -1.225 0.00 0.00 C+0 HETATM 29 C UNK 0 1.850 7.760 -1.915 0.00 0.00 C+0 HETATM 30 C UNK 0 2.123 9.015 -2.473 0.00 0.00 C+0 HETATM 31 C UNK 0 1.192 10.034 -2.329 0.00 0.00 C+0 HETATM 32 O UNK 0 1.398 11.281 -2.850 0.00 0.00 O+0 HETATM 33 C UNK 0 0.008 9.810 -1.634 0.00 0.00 C+0 HETATM 34 O UNK 0 -0.898 10.822 -1.488 0.00 0.00 O+0 HETATM 35 C UNK 0 -0.270 8.568 -1.077 0.00 0.00 C+0 HETATM 36 O UNK 0 0.109 3.618 0.510 0.00 0.00 O+0 HETATM 37 C UNK 0 -0.000 2.373 1.059 0.00 0.00 C+0 HETATM 38 O UNK 0 0.994 1.766 1.455 0.00 0.00 O+0 HETATM 39 H UNK 0 -1.143 -0.471 3.852 0.00 0.00 H+0 HETATM 40 H UNK 0 0.142 0.652 3.416 0.00 0.00 H+0 HETATM 41 H UNK 0 -1.428 1.272 3.909 0.00 0.00 H+0 HETATM 42 H UNK 0 -2.544 0.282 2.100 0.00 0.00 H+0 HETATM 43 H UNK 0 1.287 0.114 1.716 0.00 0.00 H+0 HETATM 44 H UNK 0 1.434 -2.950 0.306 0.00 0.00 H+0 HETATM 45 H UNK 0 0.608 -4.724 -1.202 0.00 0.00 H+0 HETATM 46 H UNK 0 -2.333 -4.400 -2.050 0.00 0.00 H+0 HETATM 47 H UNK 0 0.018 -7.136 -1.280 0.00 0.00 H+0 HETATM 48 H UNK 0 0.285 -9.168 -2.631 0.00 0.00 H+0 HETATM 49 H UNK 0 -0.227 -10.168 -4.612 0.00 0.00 H+0 HETATM 50 H UNK 0 -1.930 -8.278 -6.349 0.00 0.00 H+0 HETATM 51 H UNK 0 -2.317 -5.332 -4.442 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.644 0.925 0.414 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.095 4.164 -0.457 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.636 6.073 -1.043 0.00 0.00 H+0 HETATM 55 H UNK 0 1.310 5.707 -0.230 0.00 0.00 H+0 HETATM 56 H UNK 0 2.582 6.963 -2.030 0.00 0.00 H+0 HETATM 57 H UNK 0 3.055 9.168 -3.007 0.00 0.00 H+0 HETATM 58 H UNK 0 2.259 11.282 -3.303 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.492 11.582 -1.950 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.195 8.435 -0.524 0.00 0.00 H+0 CONECT 1 2 39 40 41 CONECT 2 21 3 1 42 CONECT 3 19 4 2 CONECT 4 6 3 5 CONECT 5 4 43 CONECT 6 4 7 44 CONECT 7 18 8 6 CONECT 8 7 9 45 CONECT 9 10 8 46 CONECT 10 11 9 17 CONECT 11 10 12 47 CONECT 12 13 11 48 CONECT 13 12 15 14 CONECT 14 13 49 CONECT 15 13 17 16 CONECT 16 15 50 CONECT 17 15 10 51 CONECT 18 7 19 CONECT 19 18 3 20 CONECT 20 19 CONECT 21 37 22 2 CONECT 22 24 21 23 CONECT 23 22 52 CONECT 24 22 25 53 CONECT 25 36 26 24 CONECT 26 25 27 54 CONECT 27 26 28 55 CONECT 28 27 35 29 CONECT 29 30 28 56 CONECT 30 31 29 57 CONECT 31 33 30 32 CONECT 32 31 58 CONECT 33 35 31 34 CONECT 34 33 59 CONECT 35 28 33 60 CONECT 36 25 37 CONECT 37 36 21 38 CONECT 38 37 CONECT 39 1 CONECT 40 1 CONECT 41 1 CONECT 42 2 CONECT 43 5 CONECT 44 6 CONECT 45 8 CONECT 46 9 CONECT 47 11 CONECT 48 12 CONECT 49 14 CONECT 50 16 CONECT 51 17 CONECT 52 23 CONECT 53 24 CONECT 54 26 CONECT 55 27 CONECT 56 29 CONECT 57 30 CONECT 58 32 CONECT 59 34 CONECT 60 35 MASTER 0 0 0 0 0 0 0 0 60 0 126 0 END SMILES for NP0025230 (pinillidine)[H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C(O[H])=C(C(=O)O2)C([H])(C2=C(O[H])C([H])=C(OC2=O)C(\[H])=C(/[H])C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C([H])([H])[H])C([H])=C1O[H] INCHI for NP0025230 (pinillidine)InChI=1S/C28H22O10/c1-14(25-23(33)12-17(37-27(25)35)6-2-15-4-8-19(29)21(31)10-15)26-24(34)13-18(38-28(26)36)7-3-16-5-9-20(30)22(32)11-16/h2-14,29-34H,1H3/b6-2+,7-3+ 3D Structure for NP0025230 (pinillidine) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C28H22O10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 518.4740 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 518.12130 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}ethyl)-4-hydroxy-2H-pyran-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}ethyl)-4-hydroxypyran-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])C(O[H])=C(C(=O)O2)C([H])(C2=C(O[H])C([H])=C(OC2=O)C(\[H])=C(/[H])C2=C([H])C(O[H])=C(O[H])C([H])=C2[H])C([H])([H])[H])C([H])=C1O[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C28H22O10/c1-14(25-23(33)12-17(37-27(25)35)6-2-15-4-8-19(29)21(31)10-15)26-24(34)13-18(38-28(26)36)7-3-16-5-9-20(30)22(32)11-16/h2-14,29-34H,1H3/b6-2+,7-3+ | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | AVRSGNZNZIKDCF-YPCIICBESA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| 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 |
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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 | 30823716 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 54683773 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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