Showing NP-Card for Radianspene M (NP0010768)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 20:37:10 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:07:01 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0010768 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Radianspene M | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Radianspene M is found in Coprinellus radians and Coprinus. Radianspene M was first documented in 2012 (PMID: 22521133). Based on a literature review very few articles have been published on (8aR,10aR)-5-{2-[(8aR,10aR)-2-hydroxy-8a,10a-dimethyl-3,6-dioxo-1-(propan-2-yl)-3H,6H,7H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulen-5-yl]ethyl}-2-hydroxy-8a,10a-dimethyl-1-(propan-2-yl)-3H,6H,7H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulene-3,6-dione. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0010768 (Radianspene M)
Mrv1652307012121343D
96101 0 0 0 0 999 V2000
-4.2164 4.6481 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2498 3.2030 0.7795 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8719 3.0599 2.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4544 2.3478 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6839 2.7868 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 4.1301 -1.4403 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0726 1.7078 -1.8842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2790 1.7756 -2.8679 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5650 0.5023 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2944 -0.6973 -1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7605 -1.9540 -1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8482 -2.9108 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 -2.6934 -1.8338 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5987 -2.8991 -0.7929 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9270 -2.6509 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7950 -1.8746 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2123 -1.3896 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 -0.2112 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.1095 2.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8420 -0.6252 3.0595 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1700 1.4156 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7713 2.0489 3.9641 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0131 1.9029 1.8569 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 3.2326 2.0169 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1653 3.0415 2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3596 4.2016 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0407 0.9976 0.7237 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2490 1.6596 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4120 0.5957 0.2283 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2894 -0.0182 -1.1134 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1572 -1.5424 -1.1226 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2458 -2.0277 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4655 -1.9609 -2.5219 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8757 -3.2972 -2.8124 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4149 -3.2124 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6555 -3.6192 -3.4800 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2266 -4.2255 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5281 -5.1867 -1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3635 -4.3450 0.2309 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9493 -2.9692 0.5860 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1233 -2.2070 -0.6751 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.7988 -3.1512 -1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9426 -0.9828 -0.6436 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5502 0.1368 0.2259 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3122 0.8839 -0.0614 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3293 0.6147 1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5776 4.7556 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9506 5.2568 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2268 5.1243 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3367 2.8907 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5906 3.7122 2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8466 3.4802 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9407 2.0602 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5783 4.5682 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 -0.7840 -2.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 -1.9717 -2.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3692 -3.6593 -2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3594 -1.9908 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3945 -3.8479 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6266 -2.1873 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7239 3.0362 4.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3184 3.7043 2.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7558 3.4397 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5269 3.6270 3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3760 1.9727 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2881 4.3699 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7470 5.2458 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8748 3.9973 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4752 2.3496 -0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8824 2.1954 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 0.8547 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 1.5507 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8851 -0.0171 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2741 0.1549 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4675 0.3695 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1120 -1.3343 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6162 -3.0309 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8309 -2.1342 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9604 -1.2249 -3.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5630 -1.9325 -2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0699 -3.5900 -3.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3374 -4.1187 -2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0449 -4.8668 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1785 -4.9007 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1928 -2.5215 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8920 -3.1891 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2972 -2.4892 -2.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0385 -3.7076 -2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5769 -3.7622 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0948 -0.6532 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9890 -1.2955 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5094 -0.2442 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4200 0.8722 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 1.5272 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9021 0.0881 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5410 -0.1005 0.8003 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
2 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 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
19 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
27 28 1 6 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
12 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 6 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
45 4 1 0 0 0 0
45 9 1 0 0 0 0
41 11 1 0 0 0 0
35 15 1 0 0 0 0
31 16 1 0 0 0 0
27 18 1 0 0 0 0
1 47 1 0 0 0 0
1 48 1 0 0 0 0
1 49 1 0 0 0 0
2 50 1 1 0 0 0
3 51 1 0 0 0 0
3 52 1 0 0 0 0
3 53 1 0 0 0 0
6 54 1 0 0 0 0
10 55 1 0 0 0 0
13 56 1 0 0 0 0
13 57 1 0 0 0 0
14 58 1 0 0 0 0
14 59 1 0 0 0 0
17 60 1 0 0 0 0
22 61 1 0 0 0 0
24 62 1 1 0 0 0
25 63 1 0 0 0 0
25 64 1 0 0 0 0
25 65 1 0 0 0 0
26 66 1 0 0 0 0
26 67 1 0 0 0 0
26 68 1 0 0 0 0
28 69 1 0 0 0 0
28 70 1 0 0 0 0
28 71 1 0 0 0 0
29 72 1 0 0 0 0
29 73 1 0 0 0 0
30 74 1 0 0 0 0
30 75 1 0 0 0 0
32 76 1 0 0 0 0
32 77 1 0 0 0 0
32 78 1 0 0 0 0
33 79 1 0 0 0 0
33 80 1 0 0 0 0
34 81 1 0 0 0 0
34 82 1 0 0 0 0
39 83 1 0 0 0 0
39 84 1 0 0 0 0
40 85 1 0 0 0 0
40 86 1 0 0 0 0
42 87 1 0 0 0 0
42 88 1 0 0 0 0
42 89 1 0 0 0 0
43 90 1 0 0 0 0
43 91 1 0 0 0 0
44 92 1 0 0 0 0
44 93 1 0 0 0 0
46 94 1 0 0 0 0
46 95 1 0 0 0 0
46 96 1 0 0 0 0
M END
3D MOL for NP0010768 (Radianspene M)
RDKit 3D
96101 0 0 0 0 0 0 0 0999 V2000
-4.2164 4.6481 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2498 3.2030 0.7795 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8719 3.0599 2.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4544 2.3478 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6839 2.7868 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 4.1301 -1.4403 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0726 1.7078 -1.8842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2790 1.7756 -2.8679 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5650 0.5023 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2944 -0.6973 -1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7605 -1.9540 -1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8482 -2.9108 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 -2.6934 -1.8338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5987 -2.8991 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9270 -2.6509 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7950 -1.8746 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2123 -1.3896 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 -0.2112 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.1095 2.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8420 -0.6252 3.0595 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1700 1.4156 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7713 2.0489 3.9641 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0131 1.9029 1.8569 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 3.2326 2.0169 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1653 3.0415 2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3596 4.2016 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0407 0.9976 0.7237 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2490 1.6596 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4120 0.5957 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2894 -0.0182 -1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1572 -1.5424 -1.1226 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2458 -2.0277 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4655 -1.9609 -2.5219 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8757 -3.2972 -2.8124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 -3.2124 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6555 -3.6192 -3.4800 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2266 -4.2255 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5281 -5.1867 -1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3635 -4.3450 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9493 -2.9692 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1233 -2.2070 -0.6751 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.7988 -3.1512 -1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9426 -0.9828 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5502 0.1368 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3122 0.8839 -0.0614 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3293 0.6147 1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5776 4.7556 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9506 5.2568 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2268 5.1243 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3367 2.8907 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5906 3.7122 2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8466 3.4802 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9407 2.0602 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5783 4.5682 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 -0.7840 -2.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 -1.9717 -2.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3692 -3.6593 -2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3594 -1.9908 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3945 -3.8479 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6266 -2.1873 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7239 3.0362 4.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3184 3.7043 2.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7558 3.4397 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5269 3.6270 3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3760 1.9727 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2881 4.3699 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7470 5.2458 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8748 3.9973 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4752 2.3496 -0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8824 2.1954 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 0.8547 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 1.5507 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8851 -0.0171 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2741 0.1549 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4675 0.3695 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1120 -1.3343 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6162 -3.0309 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8309 -2.1342 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9604 -1.2249 -3.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5630 -1.9325 -2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0699 -3.5900 -3.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3374 -4.1187 -2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0449 -4.8668 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1785 -4.9007 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1928 -2.5215 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8920 -3.1891 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2972 -2.4892 -2.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0385 -3.7076 -2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5769 -3.7622 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0948 -0.6532 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9890 -1.2955 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5094 -0.2442 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4200 0.8722 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 1.5272 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9021 0.0881 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5410 -0.1005 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 2 0
7 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
21 23 2 0
23 24 1 0
24 25 1 0
24 26 1 0
23 27 1 0
27 28 1 6
27 29 1 0
29 30 1 0
30 31 1 0
31 32 1 1
31 33 1 0
33 34 1 0
34 35 1 0
35 36 2 0
12 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 1 6
41 43 1 0
43 44 1 0
44 45 1 0
45 46 1 1
45 4 1 0
45 9 1 0
41 11 1 0
35 15 1 0
31 16 1 0
27 18 1 0
1 47 1 0
1 48 1 0
1 49 1 0
2 50 1 1
3 51 1 0
3 52 1 0
3 53 1 0
6 54 1 0
10 55 1 0
13 56 1 0
13 57 1 0
14 58 1 0
14 59 1 0
17 60 1 0
22 61 1 0
24 62 1 1
25 63 1 0
25 64 1 0
25 65 1 0
26 66 1 0
26 67 1 0
26 68 1 0
28 69 1 0
28 70 1 0
28 71 1 0
29 72 1 0
29 73 1 0
30 74 1 0
30 75 1 0
32 76 1 0
32 77 1 0
32 78 1 0
33 79 1 0
33 80 1 0
34 81 1 0
34 82 1 0
39 83 1 0
39 84 1 0
40 85 1 0
40 86 1 0
42 87 1 0
42 88 1 0
42 89 1 0
43 90 1 0
43 91 1 0
44 92 1 0
44 93 1 0
46 94 1 0
46 95 1 0
46 96 1 0
M END
3D SDF for NP0010768 (Radianspene M)
Mrv1652307012121343D
96101 0 0 0 0 999 V2000
-4.2164 4.6481 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2498 3.2030 0.7795 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8719 3.0599 2.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4544 2.3478 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6839 2.7868 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 4.1301 -1.4403 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0726 1.7078 -1.8842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2790 1.7756 -2.8679 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5650 0.5023 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2944 -0.6973 -1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7605 -1.9540 -1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8482 -2.9108 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 -2.6934 -1.8338 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5987 -2.8991 -0.7929 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9270 -2.6509 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7950 -1.8746 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2123 -1.3896 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 -0.2112 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.1095 2.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8420 -0.6252 3.0595 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1700 1.4156 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7713 2.0489 3.9641 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0131 1.9029 1.8569 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 3.2326 2.0169 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1653 3.0415 2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3596 4.2016 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0407 0.9976 0.7237 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2490 1.6596 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4120 0.5957 0.2283 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2894 -0.0182 -1.1134 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1572 -1.5424 -1.1226 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2458 -2.0277 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4655 -1.9609 -2.5219 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8757 -3.2972 -2.8124 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4149 -3.2124 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6555 -3.6192 -3.4800 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2266 -4.2255 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5281 -5.1867 -1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3635 -4.3450 0.2309 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9493 -2.9692 0.5860 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1233 -2.2070 -0.6751 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.7988 -3.1512 -1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9426 -0.9828 -0.6436 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5502 0.1368 0.2259 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3122 0.8839 -0.0614 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3293 0.6147 1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5776 4.7556 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9506 5.2568 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2268 5.1243 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3367 2.8907 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5906 3.7122 2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8466 3.4802 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9407 2.0602 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5783 4.5682 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 -0.7840 -2.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 -1.9717 -2.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3692 -3.6593 -2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3594 -1.9908 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3945 -3.8479 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6266 -2.1873 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7239 3.0362 4.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3184 3.7043 2.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7558 3.4397 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5269 3.6270 3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3760 1.9727 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2881 4.3699 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7470 5.2458 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8748 3.9973 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4752 2.3496 -0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8824 2.1954 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 0.8547 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 1.5507 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8851 -0.0171 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2741 0.1549 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4675 0.3695 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1120 -1.3343 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6162 -3.0309 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8309 -2.1342 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9604 -1.2249 -3.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5630 -1.9325 -2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0699 -3.5900 -3.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3374 -4.1187 -2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0449 -4.8668 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1785 -4.9007 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1928 -2.5215 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8920 -3.1891 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2972 -2.4892 -2.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0385 -3.7076 -2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5769 -3.7622 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0948 -0.6532 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9890 -1.2955 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5094 -0.2442 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4200 0.8722 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 1.5272 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9021 0.0881 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5410 -0.1005 0.8003 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
2 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 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
19 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
27 28 1 6 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
12 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 6 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 1 0 0 0
45 4 1 0 0 0 0
45 9 1 0 0 0 0
41 11 1 0 0 0 0
35 15 1 0 0 0 0
31 16 1 0 0 0 0
27 18 1 0 0 0 0
1 47 1 0 0 0 0
1 48 1 0 0 0 0
1 49 1 0 0 0 0
2 50 1 1 0 0 0
3 51 1 0 0 0 0
3 52 1 0 0 0 0
3 53 1 0 0 0 0
6 54 1 0 0 0 0
10 55 1 0 0 0 0
13 56 1 0 0 0 0
13 57 1 0 0 0 0
14 58 1 0 0 0 0
14 59 1 0 0 0 0
17 60 1 0 0 0 0
22 61 1 0 0 0 0
24 62 1 1 0 0 0
25 63 1 0 0 0 0
25 64 1 0 0 0 0
25 65 1 0 0 0 0
26 66 1 0 0 0 0
26 67 1 0 0 0 0
26 68 1 0 0 0 0
28 69 1 0 0 0 0
28 70 1 0 0 0 0
28 71 1 0 0 0 0
29 72 1 0 0 0 0
29 73 1 0 0 0 0
30 74 1 0 0 0 0
30 75 1 0 0 0 0
32 76 1 0 0 0 0
32 77 1 0 0 0 0
32 78 1 0 0 0 0
33 79 1 0 0 0 0
33 80 1 0 0 0 0
34 81 1 0 0 0 0
34 82 1 0 0 0 0
39 83 1 0 0 0 0
39 84 1 0 0 0 0
40 85 1 0 0 0 0
40 86 1 0 0 0 0
42 87 1 0 0 0 0
42 88 1 0 0 0 0
42 89 1 0 0 0 0
43 90 1 0 0 0 0
43 91 1 0 0 0 0
44 92 1 0 0 0 0
44 93 1 0 0 0 0
46 94 1 0 0 0 0
46 95 1 0 0 0 0
46 96 1 0 0 0 0
M END
> <DATABASE_ID>
NP0010768
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C(C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]2(C(=C([H])C3=C(C(=O)C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C2=C3C([H])=C4C(=O)C(O[H])=C(C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])C2=O)C1=O)C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C40H50O6/c1-21(2)31-35(45)33(43)27-19-25-23(29(41)11-13-37(25,5)15-17-39(27,31)7)9-10-24-26-20-28-34(44)36(46)32(22(3)4)40(28,8)18-16-38(26,6)14-12-30(24)42/h19-22,45-46H,9-18H2,1-8H3/t37-,38-,39-,40-/m0/s1
> <INCHI_KEY>
RBXXKGHOPCEZHW-YKKXUYLKSA-N
> <FORMULA>
C40H50O6
> <MOLECULAR_WEIGHT>
626.834
> <EXACT_MASS>
626.36073933
> <JCHEM_ACCEPTOR_COUNT>
6
> <JCHEM_ATOM_COUNT>
96
> <JCHEM_AVERAGE_POLARIZABILITY>
71.6650463883527
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
2
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(8aR,10aR)-5-{2-[(8aR,10aR)-2-hydroxy-8a,10a-dimethyl-3,6-dioxo-1-(propan-2-yl)-3H,6H,7H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulen-5-yl]ethyl}-2-hydroxy-8a,10a-dimethyl-1-(propan-2-yl)-3H,6H,7H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulene-3,6-dione
> <ALOGPS_LOGP>
5.68
> <JCHEM_LOGP>
7.1725858926666675
> <ALOGPS_LOGS>
-5.77
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
9.957887214488608
> <JCHEM_PKA_STRONGEST_ACIDIC>
9.355827223218036
> <JCHEM_PKA_STRONGEST_BASIC>
-3.5043506524483705
> <JCHEM_POLAR_SURFACE_AREA>
108.74000000000001
> <JCHEM_REFRACTIVITY>
185.01960000000008
> <JCHEM_ROTATABLE_BOND_COUNT>
5
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.06e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(8aR,10aR)-5-{2-[(8aR,10aR)-2-hydroxy-1-isopropyl-8a,10a-dimethyl-3,6-dioxo-7H,8H,9H,10H-cyclohexa[f]azulen-5-yl]ethyl}-2-hydroxy-1-isopropyl-8a,10a-dimethyl-7H,8H,9H,10H-cyclohexa[f]azulene-3,6-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0010768 (Radianspene M)
RDKit 3D
96101 0 0 0 0 0 0 0 0999 V2000
-4.2164 4.6481 0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2498 3.2030 0.7795 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8719 3.0599 2.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4544 2.3478 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6839 2.7868 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 4.1301 -1.4403 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0726 1.7078 -1.8842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2790 1.7756 -2.8679 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5650 0.5023 -1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2944 -0.6973 -1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7605 -1.9540 -1.2422 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8482 -2.9108 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5435 -2.6934 -1.8338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5987 -2.8991 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9270 -2.6509 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7950 -1.8746 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2123 -1.3896 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3052 -0.2112 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.1095 2.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8420 -0.6252 3.0595 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1700 1.4156 2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7713 2.0489 3.9641 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0131 1.9029 1.8569 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 3.2326 2.0169 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1653 3.0415 2.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3596 4.2016 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0407 0.9976 0.7237 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2490 1.6596 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4120 0.5957 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2894 -0.0182 -1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1572 -1.5424 -1.1226 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2458 -2.0277 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4655 -1.9609 -2.5219 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8757 -3.2972 -2.8124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 -3.2124 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6555 -3.6192 -3.4800 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2266 -4.2255 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5281 -5.1867 -1.0801 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3635 -4.3450 0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9493 -2.9692 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1233 -2.2070 -0.6751 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.7988 -3.1512 -1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9426 -0.9828 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5502 0.1368 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3122 0.8839 -0.0614 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3293 0.6147 1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5776 4.7556 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9506 5.2568 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2268 5.1243 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3367 2.8907 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5906 3.7122 2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8466 3.4802 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9407 2.0602 2.6363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5783 4.5682 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6975 -0.7840 -2.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2979 -1.9717 -2.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3692 -3.6593 -2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3594 -1.9908 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3945 -3.8479 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6266 -2.1873 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7239 3.0362 4.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3184 3.7043 2.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7558 3.4397 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5269 3.6270 3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3760 1.9727 2.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2881 4.3699 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7470 5.2458 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8748 3.9973 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4752 2.3496 -0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8824 2.1954 -1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 0.8547 -0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9917 1.5507 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8851 -0.0171 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2741 0.1549 -1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4675 0.3695 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1120 -1.3343 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6162 -3.0309 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8309 -2.1342 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9604 -1.2249 -3.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5630 -1.9325 -2.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0699 -3.5900 -3.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3374 -4.1187 -2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0449 -4.8668 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1785 -4.9007 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1928 -2.5215 1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8920 -3.1891 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2972 -2.4892 -2.4569 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0385 -3.7076 -2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5769 -3.7622 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0948 -0.6532 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9890 -1.2955 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5094 -0.2442 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4200 0.8722 0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9054 1.5272 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9021 0.0881 1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5410 -0.1005 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 2 0
7 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
21 23 2 0
23 24 1 0
24 25 1 0
24 26 1 0
23 27 1 0
27 28 1 6
27 29 1 0
29 30 1 0
30 31 1 0
31 32 1 1
31 33 1 0
33 34 1 0
34 35 1 0
35 36 2 0
12 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 1 6
41 43 1 0
43 44 1 0
44 45 1 0
45 46 1 1
45 4 1 0
45 9 1 0
41 11 1 0
35 15 1 0
31 16 1 0
27 18 1 0
1 47 1 0
1 48 1 0
1 49 1 0
2 50 1 1
3 51 1 0
3 52 1 0
3 53 1 0
6 54 1 0
10 55 1 0
13 56 1 0
13 57 1 0
14 58 1 0
14 59 1 0
17 60 1 0
22 61 1 0
24 62 1 1
25 63 1 0
25 64 1 0
25 65 1 0
26 66 1 0
26 67 1 0
26 68 1 0
28 69 1 0
28 70 1 0
28 71 1 0
29 72 1 0
29 73 1 0
30 74 1 0
30 75 1 0
32 76 1 0
32 77 1 0
32 78 1 0
33 79 1 0
33 80 1 0
34 81 1 0
34 82 1 0
39 83 1 0
39 84 1 0
40 85 1 0
40 86 1 0
42 87 1 0
42 88 1 0
42 89 1 0
43 90 1 0
43 91 1 0
44 92 1 0
44 93 1 0
46 94 1 0
46 95 1 0
46 96 1 0
M END
PDB for NP0010768 (Radianspene M)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -4.216 4.648 0.383 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.250 3.203 0.780 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.872 3.060 2.206 0.00 0.00 C+0 HETATM 4 C UNK 0 -3.454 2.348 -0.150 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.684 2.787 -1.131 0.00 0.00 C+0 HETATM 6 O UNK 0 -2.480 4.130 -1.440 0.00 0.00 O+0 HETATM 7 C UNK 0 -2.073 1.708 -1.884 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.279 1.776 -2.868 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.565 0.502 -1.269 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.294 -0.697 -1.798 0.00 0.00 C+0 HETATM 11 C UNK 0 -2.761 -1.954 -1.242 0.00 0.00 C+0 HETATM 12 C UNK 0 -1.848 -2.911 -1.284 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.544 -2.693 -1.834 0.00 0.00 C+0 HETATM 14 C UNK 0 0.599 -2.899 -0.793 0.00 0.00 C+0 HETATM 15 C UNK 0 1.927 -2.651 -1.339 0.00 0.00 C+0 HETATM 16 C UNK 0 2.795 -1.875 -0.664 0.00 0.00 C+0 HETATM 17 C UNK 0 2.212 -1.390 0.597 0.00 0.00 C+0 HETATM 18 C UNK 0 2.305 -0.211 1.163 0.00 0.00 C+0 HETATM 19 C UNK 0 1.669 0.110 2.418 0.00 0.00 C+0 HETATM 20 O UNK 0 0.842 -0.625 3.059 0.00 0.00 O+0 HETATM 21 C UNK 0 2.170 1.416 2.771 0.00 0.00 C+0 HETATM 22 O UNK 0 1.771 2.049 3.964 0.00 0.00 O+0 HETATM 23 C UNK 0 3.013 1.903 1.857 0.00 0.00 C+0 HETATM 24 C UNK 0 3.676 3.233 2.017 0.00 0.00 C+0 HETATM 25 C UNK 0 5.165 3.042 2.198 0.00 0.00 C+0 HETATM 26 C UNK 0 3.360 4.202 0.930 0.00 0.00 C+0 HETATM 27 C UNK 0 3.041 0.998 0.724 0.00 0.00 C+0 HETATM 28 C UNK 0 2.249 1.660 -0.423 0.00 0.00 C+0 HETATM 29 C UNK 0 4.412 0.596 0.228 0.00 0.00 C+0 HETATM 30 C UNK 0 4.289 -0.018 -1.113 0.00 0.00 C+0 HETATM 31 C UNK 0 4.157 -1.542 -1.123 0.00 0.00 C+0 HETATM 32 C UNK 0 5.246 -2.028 -0.156 0.00 0.00 C+0 HETATM 33 C UNK 0 4.465 -1.961 -2.522 0.00 0.00 C+0 HETATM 34 C UNK 0 3.876 -3.297 -2.812 0.00 0.00 C+0 HETATM 35 C UNK 0 2.415 -3.212 -2.594 0.00 0.00 C+0 HETATM 36 O UNK 0 1.656 -3.619 -3.480 0.00 0.00 O+0 HETATM 37 C UNK 0 -2.227 -4.226 -0.711 0.00 0.00 C+0 HETATM 38 O UNK 0 -1.528 -5.187 -1.080 0.00 0.00 O+0 HETATM 39 C UNK 0 -3.364 -4.345 0.231 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.949 -2.969 0.586 0.00 0.00 C+0 HETATM 41 C UNK 0 -4.123 -2.207 -0.675 0.00 0.00 C+0 HETATM 42 C UNK 0 -4.799 -3.151 -1.691 0.00 0.00 C+0 HETATM 43 C UNK 0 -4.943 -0.983 -0.644 0.00 0.00 C+0 HETATM 44 C UNK 0 -4.550 0.137 0.226 0.00 0.00 C+0 HETATM 45 C UNK 0 -3.312 0.884 -0.061 0.00 0.00 C+0 HETATM 46 C UNK 0 -2.329 0.615 1.128 0.00 0.00 C+0 HETATM 47 H UNK 0 -4.578 4.756 -0.683 0.00 0.00 H+0 HETATM 48 H UNK 0 -4.951 5.257 0.978 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.227 5.124 0.528 0.00 0.00 H+0 HETATM 50 H UNK 0 -5.337 2.891 0.691 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.591 3.712 2.802 0.00 0.00 H+0 HETATM 52 H UNK 0 -2.847 3.480 2.425 0.00 0.00 H+0 HETATM 53 H UNK 0 -3.941 2.060 2.636 0.00 0.00 H+0 HETATM 54 H UNK 0 -1.578 4.568 -1.413 0.00 0.00 H+0 HETATM 55 H UNK 0 -1.698 -0.784 -2.649 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.298 -1.972 -2.570 0.00 0.00 H+0 HETATM 57 H UNK 0 -0.369 -3.659 -2.450 0.00 0.00 H+0 HETATM 58 H UNK 0 0.359 -1.991 -0.142 0.00 0.00 H+0 HETATM 59 H UNK 0 0.395 -3.848 -0.336 0.00 0.00 H+0 HETATM 60 H UNK 0 1.627 -2.187 1.104 0.00 0.00 H+0 HETATM 61 H UNK 0 1.724 3.036 4.068 0.00 0.00 H+0 HETATM 62 H UNK 0 3.318 3.704 2.972 0.00 0.00 H+0 HETATM 63 H UNK 0 5.756 3.440 1.345 0.00 0.00 H+0 HETATM 64 H UNK 0 5.527 3.627 3.084 0.00 0.00 H+0 HETATM 65 H UNK 0 5.376 1.973 2.427 0.00 0.00 H+0 HETATM 66 H UNK 0 2.288 4.370 0.769 0.00 0.00 H+0 HETATM 67 H UNK 0 3.747 5.246 1.206 0.00 0.00 H+0 HETATM 68 H UNK 0 3.875 3.997 -0.032 0.00 0.00 H+0 HETATM 69 H UNK 0 1.475 2.350 -0.044 0.00 0.00 H+0 HETATM 70 H UNK 0 2.882 2.195 -1.128 0.00 0.00 H+0 HETATM 71 H UNK 0 1.671 0.855 -0.972 0.00 0.00 H+0 HETATM 72 H UNK 0 4.992 1.551 0.106 0.00 0.00 H+0 HETATM 73 H UNK 0 4.885 -0.017 0.990 0.00 0.00 H+0 HETATM 74 H UNK 0 5.274 0.155 -1.652 0.00 0.00 H+0 HETATM 75 H UNK 0 3.467 0.370 -1.722 0.00 0.00 H+0 HETATM 76 H UNK 0 6.112 -1.334 -0.198 0.00 0.00 H+0 HETATM 77 H UNK 0 5.616 -3.031 -0.454 0.00 0.00 H+0 HETATM 78 H UNK 0 4.831 -2.134 0.867 0.00 0.00 H+0 HETATM 79 H UNK 0 3.960 -1.225 -3.206 0.00 0.00 H+0 HETATM 80 H UNK 0 5.563 -1.933 -2.661 0.00 0.00 H+0 HETATM 81 H UNK 0 4.070 -3.590 -3.873 0.00 0.00 H+0 HETATM 82 H UNK 0 4.337 -4.119 -2.211 0.00 0.00 H+0 HETATM 83 H UNK 0 -3.045 -4.867 1.157 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.178 -4.901 -0.269 0.00 0.00 H+0 HETATM 85 H UNK 0 -3.193 -2.522 1.283 0.00 0.00 H+0 HETATM 86 H UNK 0 -4.892 -3.189 1.118 0.00 0.00 H+0 HETATM 87 H UNK 0 -5.297 -2.489 -2.457 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.038 -3.708 -2.252 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.577 -3.762 -1.216 0.00 0.00 H+0 HETATM 90 H UNK 0 -5.095 -0.653 -1.701 0.00 0.00 H+0 HETATM 91 H UNK 0 -5.989 -1.296 -0.328 0.00 0.00 H+0 HETATM 92 H UNK 0 -4.509 -0.244 1.293 0.00 0.00 H+0 HETATM 93 H UNK 0 -5.420 0.872 0.286 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.905 1.527 1.515 0.00 0.00 H+0 HETATM 95 H UNK 0 -2.902 0.088 1.900 0.00 0.00 H+0 HETATM 96 H UNK 0 -1.541 -0.101 0.800 0.00 0.00 H+0 CONECT 1 2 47 48 49 CONECT 2 1 3 4 50 CONECT 3 2 51 52 53 CONECT 4 2 5 45 CONECT 5 4 6 7 CONECT 6 5 54 CONECT 7 5 8 9 CONECT 8 7 CONECT 9 7 10 45 CONECT 10 9 11 55 CONECT 11 10 12 41 CONECT 12 11 13 37 CONECT 13 12 14 56 57 CONECT 14 13 15 58 59 CONECT 15 14 16 35 CONECT 16 15 17 31 CONECT 17 16 18 60 CONECT 18 17 19 27 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 23 CONECT 22 21 61 CONECT 23 21 24 27 CONECT 24 23 25 26 62 CONECT 25 24 63 64 65 CONECT 26 24 66 67 68 CONECT 27 23 28 29 18 CONECT 28 27 69 70 71 CONECT 29 27 30 72 73 CONECT 30 29 31 74 75 CONECT 31 30 32 33 16 CONECT 32 31 76 77 78 CONECT 33 31 34 79 80 CONECT 34 33 35 81 82 CONECT 35 34 36 15 CONECT 36 35 CONECT 37 12 38 39 CONECT 38 37 CONECT 39 37 40 83 84 CONECT 40 39 41 85 86 CONECT 41 40 42 43 11 CONECT 42 41 87 88 89 CONECT 43 41 44 90 91 CONECT 44 43 45 92 93 CONECT 45 44 46 4 9 CONECT 46 45 94 95 96 CONECT 47 1 CONECT 48 1 CONECT 49 1 CONECT 50 2 CONECT 51 3 CONECT 52 3 CONECT 53 3 CONECT 54 6 CONECT 55 10 CONECT 56 13 CONECT 57 13 CONECT 58 14 CONECT 59 14 CONECT 60 17 CONECT 61 22 CONECT 62 24 CONECT 63 25 CONECT 64 25 CONECT 65 25 CONECT 66 26 CONECT 67 26 CONECT 68 26 CONECT 69 28 CONECT 70 28 CONECT 71 28 CONECT 72 29 CONECT 73 29 CONECT 74 30 CONECT 75 30 CONECT 76 32 CONECT 77 32 CONECT 78 32 CONECT 79 33 CONECT 80 33 CONECT 81 34 CONECT 82 34 CONECT 83 39 CONECT 84 39 CONECT 85 40 CONECT 86 40 CONECT 87 42 CONECT 88 42 CONECT 89 42 CONECT 90 43 CONECT 91 43 CONECT 92 44 CONECT 93 44 CONECT 94 46 CONECT 95 46 CONECT 96 46 MASTER 0 0 0 0 0 0 0 0 96 0 202 0 END SMILES for NP0010768 (Radianspene M)[H]OC1=C(C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]2(C(=C([H])C3=C(C(=O)C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C2=C3C([H])=C4C(=O)C(O[H])=C(C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])C2=O)C1=O)C([H])([H])[H] INCHI for NP0010768 (Radianspene M)InChI=1S/C40H50O6/c1-21(2)31-35(45)33(43)27-19-25-23(29(41)11-13-37(25,5)15-17-39(27,31)7)9-10-24-26-20-28-34(44)36(46)32(22(3)4)40(28,8)18-16-38(26,6)14-12-30(24)42/h19-22,45-46H,9-18H2,1-8H3/t37-,38-,39-,40-/m0/s1 3D Structure for NP0010768 (Radianspene M) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C40H50O6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 626.8340 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 626.36074 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (8aR,10aR)-5-{2-[(8aR,10aR)-2-hydroxy-8a,10a-dimethyl-3,6-dioxo-1-(propan-2-yl)-3H,6H,7H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulen-5-yl]ethyl}-2-hydroxy-8a,10a-dimethyl-1-(propan-2-yl)-3H,6H,7H,8H,8aH,9H,10H,10aH-cyclohexa[f]azulene-3,6-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (8aR,10aR)-5-{2-[(8aR,10aR)-2-hydroxy-1-isopropyl-8a,10a-dimethyl-3,6-dioxo-7H,8H,9H,10H-cyclohexa[f]azulen-5-yl]ethyl}-2-hydroxy-1-isopropyl-8a,10a-dimethyl-7H,8H,9H,10H-cyclohexa[f]azulene-3,6-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)C1=C(O)C(=O)C2=CC3=C(CCC4=C5C=C6C(=O)C(O)=C(C(C)C)[C@@]6(C)CC[C@]5(C)CCC4=O)C(=O)CC[C@@]3(C)CC[C@]12C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C40H50O6/c1-21(2)31-35(45)33(43)27-19-25-23(29(41)11-13-37(25,5)15-17-39(27,31)7)9-10-24-26-20-28-34(44)36(46)32(22(3)4)40(28,8)18-16-38(26,6)14-12-30(24)42/h19-22,45-46H,9-18H2,1-8H3/t37-,38-,39-,40-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | RBXXKGHOPCEZHW-YKKXUYLKSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA005950 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78442298 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 101585012 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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