Showing NP-Card for Floratheasaponin E (NP0336486)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2024-09-11 06:28:38 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-11 06:28:39 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0336486 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Floratheasaponin E | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0336486 (Floratheasaponin E)
Mrv2104 05262309002D
90 98 0 0 0 0 999 V2000
-4.9795 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -2.4455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9795 -2.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2650 -2.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2650 -1.6205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5505 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5505 -2.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8361 -2.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8361 -1.6205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8361 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5505 -0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 -1.2080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1216 -0.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4071 0.0295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4071 -1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -0.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6927 1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4071 0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0218 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0218 0.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4084 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4084 -2.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1229 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5518 -1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5518 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8373 -2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1229 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8373 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9795 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -4.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9795 -6.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2650 -4.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4084 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9795 -3.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0515 -3.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2061 -3.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8361 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 -2.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5505 -3.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4071 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 -0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2353 -0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1652 1.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4507 0.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4507 0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1652 -0.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8797 0.0295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8797 0.8545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1652 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8797 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4507 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5941 -0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 1.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3086 0.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3086 0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 -0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7376 0.0295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7376 0.8545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4520 -0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4520 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5941 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2606 2.8065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4356 2.8065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0231 3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4356 4.2355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2606 4.2355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6731 3.5210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6731 4.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4981 3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6731 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1548 3.1024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9517 2.8889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5351 3.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3215 4.2692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5246 4.4827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9413 3.8993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3111 5.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1444 4.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5714 2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1652 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9049 4.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6914 5.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
6 1 1 1 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
5 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 13 1 0 0 0 0
7 10 1 0 0 0 0
12 7 2 0 0 0 0
11 12 1 0 0 0 0
14 11 1 6 0 0 0
15 14 1 0 0 0 0
14 13 1 0 0 0 0
13 16 1 0 0 0 0
16 17 1 0 0 0 0
18 17 1 6 0 0 0
18 21 1 0 0 0 0
15 18 1 0 0 0 0
20 15 1 0 0 0 0
19 20 1 0 0 0 0
19 22 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
2 24 1 0 0 0 0
3 25 1 6 0 0 0
25 26 1 0 0 0 0
29 26 1 0 0 0 0
26 30 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 31 1 0 0 0 0
4 38 1 1 0 0 0
32 33 1 0 0 0 0
32 36 2 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
5 39 1 6 0 0 0
39 40 1 0 0 0 0
10 41 1 1 0 0 0
9 42 1 1 0 0 0
8 43 1 1 0 0 0
13 44 1 6 0 0 0
15 45 1 6 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
22 58 1 6 0 0 0
48 49 1 0 0 0 0
48 53 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
51 54 1 1 0 0 0
54 55 1 0 0 0 0
54 56 2 0 0 0 0
52 57 1 6 0 0 0
53 67 1 1 0 0 0
48 87 1 6 0 0 0
49 58 1 1 0 0 0
59 60 1 0 0 0 0
59 64 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 1 0 0 0
64 66 1 1 0 0 0
59 77 1 6 0 0 0
60 67 1 1 0 0 0
68 69 1 0 0 0 0
68 73 1 0 0 0 0
68 76 1 1 0 0 0
69 70 1 0 0 0 0
69 77 1 6 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 1 0 0 0
73 75 1 6 0 0 0
78 79 1 0 0 0 0
78 83 1 0 0 0 0
78 86 1 6 0 0 0
79 80 1 0 0 0 0
79 87 1 1 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 1 0 0 0
83 85 1 1 0 0 0
81 88 1 1 0 0 0
88 89 1 0 0 0 0
71 90 1 1 0 0 0
M END
3D SDF for NP0336486 (Floratheasaponin E)
Mrv2104 05262309002D
90 98 0 0 0 0 999 V2000
-4.9795 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -2.4455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9795 -2.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2650 -2.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2650 -1.6205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.5505 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5505 -2.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8361 -2.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8361 -1.6205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8361 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5505 -0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 -1.2080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1216 -0.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4071 0.0295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4071 -1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 -0.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6927 1.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4071 0.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0218 0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0218 0.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4084 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4084 -2.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1229 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5518 -1.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5518 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8373 -2.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1229 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8373 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9795 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -4.9206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6939 -5.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9795 -6.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2650 -4.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4084 -4.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9795 -3.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0515 -3.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2061 -3.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8361 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 -2.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5505 -3.6831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1216 -2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4071 -0.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 -0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2353 -0.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1652 1.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4507 0.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4507 0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1652 -0.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8797 0.0295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8797 0.8545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1652 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8797 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4507 -1.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5941 -0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7363 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 1.2670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3086 0.8545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3086 0.0295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 -0.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7376 0.0295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7376 0.8545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.4520 -0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4520 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5941 1.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2606 2.8065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4356 2.8065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0231 3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4356 4.2355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2606 4.2355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6731 3.5210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6731 4.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4981 3.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6731 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1548 3.1024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9517 2.8889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5351 3.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3215 4.2692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5246 4.4827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9413 3.8993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3111 5.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1444 4.1129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5714 2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1652 2.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9049 4.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6914 5.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0231 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
6 1 1 1 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
5 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 13 1 0 0 0 0
7 10 1 0 0 0 0
12 7 2 0 0 0 0
11 12 1 0 0 0 0
14 11 1 6 0 0 0
15 14 1 0 0 0 0
14 13 1 0 0 0 0
13 16 1 0 0 0 0
16 17 1 0 0 0 0
18 17 1 6 0 0 0
18 21 1 0 0 0 0
15 18 1 0 0 0 0
20 15 1 0 0 0 0
19 20 1 0 0 0 0
19 22 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
2 24 1 0 0 0 0
3 25 1 6 0 0 0
25 26 1 0 0 0 0
29 26 1 0 0 0 0
26 30 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 31 1 0 0 0 0
4 38 1 1 0 0 0
32 33 1 0 0 0 0
32 36 2 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
33 37 1 0 0 0 0
32 38 1 0 0 0 0
5 39 1 6 0 0 0
39 40 1 0 0 0 0
10 41 1 1 0 0 0
9 42 1 1 0 0 0
8 43 1 1 0 0 0
13 44 1 6 0 0 0
15 45 1 6 0 0 0
21 46 1 0 0 0 0
21 47 1 0 0 0 0
22 58 1 6 0 0 0
48 49 1 0 0 0 0
48 53 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
51 54 1 1 0 0 0
54 55 1 0 0 0 0
54 56 2 0 0 0 0
52 57 1 6 0 0 0
53 67 1 1 0 0 0
48 87 1 6 0 0 0
49 58 1 1 0 0 0
59 60 1 0 0 0 0
59 64 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 1 0 0 0
64 66 1 1 0 0 0
59 77 1 6 0 0 0
60 67 1 1 0 0 0
68 69 1 0 0 0 0
68 73 1 0 0 0 0
68 76 1 1 0 0 0
69 70 1 0 0 0 0
69 77 1 6 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 74 1 1 0 0 0
73 75 1 6 0 0 0
78 79 1 0 0 0 0
78 83 1 0 0 0 0
78 86 1 6 0 0 0
79 80 1 0 0 0 0
79 87 1 1 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 1 0 0 0
83 85 1 1 0 0 0
81 88 1 1 0 0 0
88 89 1 0 0 0 0
71 90 1 1 0 0 0
M END
> <DATABASE_ID>
NP0336486
> <DATABASE_NAME>
NP-MRD
> <SMILES>
C\C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C/C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
> <INCHI_IDENTIFIER>
InChI=1/C63H98O27/c1-13-25(3)52(79)89-49-50(90-53(80)26(4)14-2)63(24-65)29(21-58(49,6)7)28-15-16-33-60(10)19-18-34(59(8,9)32(60)17-20-61(33,11)62(28,12)47(75)48(63)76)84-57-46(88-55-41(73)39(71)37(69)31(22-64)83-55)43(42(74)44(86-57)51(77)78)85-56-45(36(68)30(66)23-81-56)87-54-40(72)38(70)35(67)27(5)82-54/h13-15,27,29-50,54-57,64-76H,16-24H2,1-12H3,(H,77,78)/b25-13-,26-14-/t27-,29-,30-,31+,32-,33+,34-,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,47-,48+,49-,50-,54-,55-,56-,57+,60-,61+,62-,63-/s2
> <INCHI_KEY>
DEKODVOGMCTSPQ-HUNSCNEXNA-N
> <FORMULA>
C63H98O27
> <MOLECULAR_WEIGHT>
1287.45
> <EXACT_MASS>
1286.629547896
> <JCHEM_ACCEPTOR_COUNT>
25
> <JCHEM_ATOM_COUNT>
188
> <JCHEM_AVERAGE_POLARIZABILITY>
135.56206146464768
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
14
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis({[(2Z)-2-methylbut-2-enoyl]oxy})-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
> <JCHEM_LOGP>
1.1628065830000027
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
9
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.910844850544594
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3020643312192357
> <JCHEM_PKA_STRONGEST_BASIC>
-3.676506702982264
> <JCHEM_POLAR_SURFACE_AREA>
426.73000000000013
> <JCHEM_REFRACTIVITY>
308.802
> <JCHEM_ROTATABLE_BOND_COUNT>
17
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis({[(2Z)-2-methylbut-2-enoyl]oxy})-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0336486 (Floratheasaponin E)HEADER PROTEIN 26-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAY-23 0 HETATM 1 C UNK 0 -9.295 -2.255 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -10.629 -3.025 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -10.629 -4.565 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -9.295 -5.335 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -7.961 -4.565 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -7.961 -3.025 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -6.628 -2.255 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -6.628 -5.335 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -5.294 -4.565 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -5.294 -3.025 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.294 0.055 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -6.628 -0.715 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.960 -2.255 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.960 -0.715 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.627 0.055 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -2.627 -3.025 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.293 -2.255 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.293 -0.715 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.293 2.365 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.627 1.595 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 0.041 0.055 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 0.041 1.595 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -11.962 -2.255 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -10.629 -1.485 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 -11.962 -5.335 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 -13.296 -4.565 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -15.963 -3.025 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -15.963 -4.565 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -14.630 -5.335 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 -13.296 -3.025 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 -14.630 -6.875 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -9.295 -8.415 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -10.629 -9.185 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -10.629 -10.725 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -9.295 -11.495 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -7.961 -9.185 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -11.962 -8.415 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 -9.295 -6.875 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 -7.563 -6.052 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 -7.851 -7.425 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 -5.294 -1.485 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -3.960 -5.335 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 -6.628 -6.875 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 -3.960 -3.795 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.627 -1.485 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 1.374 -0.715 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 0.439 -1.432 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 4.042 2.365 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 2.708 1.595 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 2.708 0.055 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 4.042 -0.715 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 5.375 0.055 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 5.375 1.595 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 4.042 -2.255 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 5.375 -3.025 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 2.708 -3.025 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 6.709 -0.715 0.000 0.00 0.00 O+0 HETATM 58 O UNK 0 1.374 2.365 0.000 0.00 0.00 O+0 HETATM 59 C UNK 0 9.376 2.365 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 8.043 1.595 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 8.043 0.055 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 9.376 -0.715 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 10.710 0.055 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 10.710 1.595 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 12.044 -0.715 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 12.044 2.365 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 6.709 2.365 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 11.686 5.239 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 10.146 5.239 0.000 0.00 0.00 C+0 HETATM 70 O UNK 0 9.376 6.573 0.000 0.00 0.00 O+0 HETATM 71 C UNK 0 10.146 7.906 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 11.686 7.906 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 12.456 6.573 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 12.456 9.240 0.000 0.00 0.00 O+0 HETATM 75 O UNK 0 13.996 6.573 0.000 0.00 0.00 O+0 HETATM 76 O UNK 0 12.456 3.905 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 9.376 3.905 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 2.156 5.791 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 3.643 5.393 0.000 0.00 0.00 C+0 HETATM 80 O UNK 0 4.732 6.482 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 4.333 7.969 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 2.846 8.368 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 1.757 7.279 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 2.447 9.855 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 0.270 7.677 0.000 0.00 0.00 O+0 HETATM 86 O UNK 0 1.067 4.702 0.000 0.00 0.00 O+0 HETATM 87 O UNK 0 4.042 3.905 0.000 0.00 0.00 O+0 HETATM 88 C UNK 0 5.422 9.058 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 5.024 10.546 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 9.376 9.240 0.000 0.00 0.00 C+0 CONECT 1 2 6 CONECT 2 1 3 23 24 CONECT 3 2 4 25 CONECT 4 3 5 38 CONECT 5 4 6 8 39 CONECT 6 1 7 5 CONECT 7 6 10 12 CONECT 8 5 9 43 CONECT 9 8 10 42 CONECT 10 9 13 7 41 CONECT 11 12 14 CONECT 12 7 11 CONECT 13 10 14 16 44 CONECT 14 11 15 13 CONECT 15 14 18 20 45 CONECT 16 13 17 CONECT 17 16 18 CONECT 18 17 21 15 CONECT 19 20 22 CONECT 20 15 19 CONECT 21 18 22 46 47 CONECT 22 19 21 58 CONECT 23 2 CONECT 24 2 CONECT 25 3 26 CONECT 26 25 29 30 CONECT 27 28 CONECT 28 27 29 CONECT 29 26 28 31 CONECT 30 26 CONECT 31 29 CONECT 32 33 36 38 CONECT 33 32 34 37 CONECT 34 33 35 CONECT 35 34 CONECT 36 32 CONECT 37 33 CONECT 38 4 32 CONECT 39 5 40 CONECT 40 39 CONECT 41 10 CONECT 42 9 CONECT 43 8 CONECT 44 13 CONECT 45 15 CONECT 46 21 CONECT 47 21 CONECT 48 49 53 87 CONECT 49 48 50 58 CONECT 50 49 51 CONECT 51 50 52 54 CONECT 52 51 53 57 CONECT 53 48 52 67 CONECT 54 51 55 56 CONECT 55 54 CONECT 56 54 CONECT 57 52 CONECT 58 22 49 CONECT 59 60 64 77 CONECT 60 59 61 67 CONECT 61 60 62 CONECT 62 61 63 CONECT 63 62 64 65 CONECT 64 59 63 66 CONECT 65 63 CONECT 66 64 CONECT 67 53 60 CONECT 68 69 73 76 CONECT 69 68 70 77 CONECT 70 69 71 CONECT 71 70 72 90 CONECT 72 71 73 74 CONECT 73 68 72 75 CONECT 74 72 CONECT 75 73 CONECT 76 68 CONECT 77 59 69 CONECT 78 79 83 86 CONECT 79 78 80 87 CONECT 80 79 81 CONECT 81 80 82 88 CONECT 82 81 83 84 CONECT 83 78 82 85 CONECT 84 82 CONECT 85 83 CONECT 86 78 CONECT 87 48 79 CONECT 88 81 89 CONECT 89 88 CONECT 90 71 MASTER 0 0 0 0 0 0 0 0 90 0 196 0 END SMILES for NP0336486 (Floratheasaponin E)C\C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C/C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C INCHI for NP0336486 (Floratheasaponin E)InChI=1/C63H98O27/c1-13-25(3)52(79)89-49-50(90-53(80)26(4)14-2)63(24-65)29(21-58(49,6)7)28-15-16-33-60(10)19-18-34(59(8,9)32(60)17-20-61(33,11)62(28,12)47(75)48(63)76)84-57-46(88-55-41(73)39(71)37(69)31(22-64)83-55)43(42(74)44(86-57)51(77)78)85-56-45(36(68)30(66)23-81-56)87-54-40(72)38(70)35(67)27(5)82-54/h13-15,27,29-50,54-57,64-76H,16-24H2,1-12H3,(H,77,78)/b25-13-,26-14-/t27-,29-,30-,31+,32-,33+,34-,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,47-,48+,49-,50-,54-,55-,56-,57+,60-,61+,62-,63-/s2 3D Structure for NP0336486 (Floratheasaponin E) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C63H98O27 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1287.4500 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1286.62955 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis({[(2Z)-2-methylbut-2-enoyl]oxy})-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis({[(2Z)-2-methylbut-2-enoyl]oxy})-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C\C=C(\C)C(=O)O[C@H]1[C@H](OC(=O)C(\C)=C/C)[C@]2(CO)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1/C63H98O27/c1-13-25(3)52(79)89-49-50(90-53(80)26(4)14-2)63(24-65)29(21-58(49,6)7)28-15-16-33-60(10)19-18-34(59(8,9)32(60)17-20-61(33,11)62(28,12)47(75)48(63)76)84-57-46(88-55-41(73)39(71)37(69)31(22-64)83-55)43(42(74)44(86-57)51(77)78)85-56-45(36(68)30(66)23-81-56)87-54-40(72)38(70)35(67)27(5)82-54/h13-15,27,29-50,54-57,64-76H,16-24H2,1-12H3,(H,77,78)/b25-13-,26-14-/t27-,29-,30-,31+,32-,33+,34-,35+,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,47-,48+,49-,50-,54-,55-,56-,57+,60-,61+,62-,63-/s2 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DEKODVOGMCTSPQ-HUNSCNEXNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
