Showing NP-Card for cochinchinone J (NP0037992)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-06-20 20:47:33 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-06-30 00:10:31 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0037992 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | cochinchinone J | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | JEOL Database![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | cochinchinone J is found in Cratoxylum cochinchinense. cochinchinone J was first documented in 2009 (Boonnak, N., et al.). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0037992 (cochinchinone J)
Mrv1652306202122473D
63 66 0 0 0 0 999 V2000
-2.0570 -6.1143 1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1955 -4.8788 1.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2721 -5.1489 1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7437 -3.6574 1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 -2.3258 1.5247 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8308 -1.7839 2.9443 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1488 -0.3967 2.9915 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1099 0.0888 4.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 -0.4723 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7040 0.2098 1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7615 1.0632 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5548 1.1815 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4982 1.9927 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9276 2.0882 1.0130 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8163 1.0379 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 0.0435 1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3419 -0.9063 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4824 -0.2370 2.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0982 2.6750 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0335 3.4461 -1.2896 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2146 2.5632 -1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6458 3.2762 -2.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1354 3.9893 -2.9564 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 3.1020 -2.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5151 3.7492 -3.9099 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8401 3.5543 -4.2818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3648 4.1580 -5.3850 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.7315 -3.5348 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1875 2.0903 -2.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8593 2.2765 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4481 1.6157 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1445 1.7639 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0013 0.5336 2.2997 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1188 -5.8792 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9502 -6.6644 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7600 -6.7715 2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6155 -5.8804 1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 -5.5565 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8953 -4.2600 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 -3.5842 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0915 -2.3940 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -1.6368 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8138 -1.7124 3.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 -2.5070 3.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.1744 4.8596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3329 1.0901 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4656 -0.5861 5.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9605 -1.1205 3.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 0.1290 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 2.0642 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 3.0751 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9130 1.1386 -0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9780 -1.9323 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3323 -0.6721 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3817 -0.8637 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7988 0.4001 3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4859 -0.0943 2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1814 -1.2738 2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 3.8595 -2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 4.3896 -4.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6762 4.6976 -5.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7120 2.5900 -3.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8427 1.4478 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
22 23 2 0 0 0 0
24 22 1 0 0 0 0
26 27 1 0 0 0 0
30 31 1 0 0 0 0
19 20 1 0 0 0 0
12 11 2 0 0 0 0
31 32 1 0 0 0 0
21 22 1 0 0 0 0
21 32 2 0 0 0 0
29 30 2 0 0 0 0
24 25 2 0 0 0 0
24 30 1 0 0 0 0
12 33 1 0 0 0 0
11 10 1 0 0 0 0
10 9 2 0 0 0 0
9 7 1 0 0 0 0
7 33 1 0 0 0 0
21 19 1 0 0 0 0
15 16 2 3 0 0 0
32 11 1 0 0 0 0
16 17 1 0 0 0 0
13 19 2 0 0 0 0
16 18 1 0 0 0 0
13 12 1 0 0 0 0
7 6 1 1 0 0 0
6 5 1 0 0 0 0
26 28 2 0 0 0 0
5 4 1 0 0 0 0
26 25 1 0 0 0 0
4 2 2 3 0 0 0
13 14 1 0 0 0 0
2 1 1 0 0 0 0
15 14 1 0 0 0 0
2 3 1 0 0 0 0
28 29 1 0 0 0 0
7 8 1 0 0 0 0
28 62 1 0 0 0 0
29 63 1 0 0 0 0
25 60 1 0 0 0 0
15 52 1 0 0 0 0
14 50 1 0 0 0 0
14 51 1 0 0 0 0
27 61 1 0 0 0 0
20 59 1 0 0 0 0
10 49 1 0 0 0 0
9 48 1 0 0 0 0
17 53 1 0 0 0 0
17 54 1 0 0 0 0
17 55 1 0 0 0 0
18 56 1 0 0 0 0
18 57 1 0 0 0 0
18 58 1 0 0 0 0
6 43 1 0 0 0 0
6 44 1 0 0 0 0
5 41 1 0 0 0 0
5 42 1 0 0 0 0
4 40 1 0 0 0 0
1 34 1 0 0 0 0
1 35 1 0 0 0 0
1 36 1 0 0 0 0
3 37 1 0 0 0 0
3 38 1 0 0 0 0
3 39 1 0 0 0 0
8 45 1 0 0 0 0
8 46 1 0 0 0 0
8 47 1 0 0 0 0
M END
3D MOL for NP0037992 (cochinchinone J)
RDKit 3D
63 66 0 0 0 0 0 0 0 0999 V2000
-2.0570 -6.1143 1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1955 -4.8788 1.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2721 -5.1489 1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7437 -3.6574 1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 -2.3258 1.5247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 -1.7839 2.9443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1488 -0.3967 2.9915 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1099 0.0888 4.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 -0.4723 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7040 0.2098 1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7615 1.0632 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5548 1.1815 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4982 1.9927 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9276 2.0882 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8163 1.0379 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 0.0435 1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3419 -0.9063 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4824 -0.2370 2.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0982 2.6750 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0335 3.4461 -1.2896 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2146 2.5632 -1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6458 3.2762 -2.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1354 3.9893 -2.9564 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 3.1020 -2.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5151 3.7492 -3.9099 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8401 3.5543 -4.2818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3648 4.1580 -5.3850 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.7315 -3.5348 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1875 2.0903 -2.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8593 2.2765 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4481 1.6157 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1445 1.7639 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0013 0.5336 2.2997 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1188 -5.8792 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9502 -6.6644 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7600 -6.7715 2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6155 -5.8804 1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 -5.5565 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8953 -4.2600 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 -3.5842 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0915 -2.3940 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -1.6368 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8138 -1.7124 3.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 -2.5070 3.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.1744 4.8596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3329 1.0901 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4656 -0.5861 5.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9605 -1.1205 3.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 0.1290 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 2.0642 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 3.0751 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9130 1.1386 -0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9780 -1.9323 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3323 -0.6721 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3817 -0.8637 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7988 0.4001 3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4859 -0.0943 2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1814 -1.2738 2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 3.8595 -2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 4.3896 -4.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6762 4.6976 -5.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7120 2.5900 -3.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8427 1.4478 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
22 23 2 0
24 22 1 0
26 27 1 0
30 31 1 0
19 20 1 0
12 11 2 0
31 32 1 0
21 22 1 0
21 32 2 0
29 30 2 0
24 25 2 0
24 30 1 0
12 33 1 0
11 10 1 0
10 9 2 0
9 7 1 0
7 33 1 0
21 19 1 0
15 16 2 3
32 11 1 0
16 17 1 0
13 19 2 0
16 18 1 0
13 12 1 0
7 6 1 1
6 5 1 0
26 28 2 0
5 4 1 0
26 25 1 0
4 2 2 3
13 14 1 0
2 1 1 0
15 14 1 0
2 3 1 0
28 29 1 0
7 8 1 0
28 62 1 0
29 63 1 0
25 60 1 0
15 52 1 0
14 50 1 0
14 51 1 0
27 61 1 0
20 59 1 0
10 49 1 0
9 48 1 0
17 53 1 0
17 54 1 0
17 55 1 0
18 56 1 0
18 57 1 0
18 58 1 0
6 43 1 0
6 44 1 0
5 41 1 0
5 42 1 0
4 40 1 0
1 34 1 0
1 35 1 0
1 36 1 0
3 37 1 0
3 38 1 0
3 39 1 0
8 45 1 0
8 46 1 0
8 47 1 0
M END
3D SDF for NP0037992 (cochinchinone J)
Mrv1652306202122473D
63 66 0 0 0 0 999 V2000
-2.0570 -6.1143 1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1955 -4.8788 1.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2721 -5.1489 1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7437 -3.6574 1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 -2.3258 1.5247 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8308 -1.7839 2.9443 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1488 -0.3967 2.9915 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1099 0.0888 4.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 -0.4723 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7040 0.2098 1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7615 1.0632 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5548 1.1815 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4982 1.9927 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9276 2.0882 1.0130 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8163 1.0379 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 0.0435 1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3419 -0.9063 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4824 -0.2370 2.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0982 2.6750 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0335 3.4461 -1.2896 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2146 2.5632 -1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6458 3.2762 -2.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1354 3.9893 -2.9564 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 3.1020 -2.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5151 3.7492 -3.9099 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8401 3.5543 -4.2818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3648 4.1580 -5.3850 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.7315 -3.5348 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1875 2.0903 -2.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8593 2.2765 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4481 1.6157 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1445 1.7639 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0013 0.5336 2.2997 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1188 -5.8792 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9502 -6.6644 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7600 -6.7715 2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6155 -5.8804 1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 -5.5565 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8953 -4.2600 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 -3.5842 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0915 -2.3940 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -1.6368 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8138 -1.7124 3.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 -2.5070 3.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.1744 4.8596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3329 1.0901 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4656 -0.5861 5.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9605 -1.1205 3.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 0.1290 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 2.0642 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 3.0751 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9130 1.1386 -0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9780 -1.9323 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3323 -0.6721 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3817 -0.8637 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7988 0.4001 3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4859 -0.0943 2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1814 -1.2738 2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 3.8595 -2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 4.3896 -4.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6762 4.6976 -5.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7120 2.5900 -3.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8427 1.4478 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
22 23 2 0 0 0 0
24 22 1 0 0 0 0
26 27 1 0 0 0 0
30 31 1 0 0 0 0
19 20 1 0 0 0 0
12 11 2 0 0 0 0
31 32 1 0 0 0 0
21 22 1 0 0 0 0
21 32 2 0 0 0 0
29 30 2 0 0 0 0
24 25 2 0 0 0 0
24 30 1 0 0 0 0
12 33 1 0 0 0 0
11 10 1 0 0 0 0
10 9 2 0 0 0 0
9 7 1 0 0 0 0
7 33 1 0 0 0 0
21 19 1 0 0 0 0
15 16 2 3 0 0 0
32 11 1 0 0 0 0
16 17 1 0 0 0 0
13 19 2 0 0 0 0
16 18 1 0 0 0 0
13 12 1 0 0 0 0
7 6 1 1 0 0 0
6 5 1 0 0 0 0
26 28 2 0 0 0 0
5 4 1 0 0 0 0
26 25 1 0 0 0 0
4 2 2 3 0 0 0
13 14 1 0 0 0 0
2 1 1 0 0 0 0
15 14 1 0 0 0 0
2 3 1 0 0 0 0
28 29 1 0 0 0 0
7 8 1 0 0 0 0
28 62 1 0 0 0 0
29 63 1 0 0 0 0
25 60 1 0 0 0 0
15 52 1 0 0 0 0
14 50 1 0 0 0 0
14 51 1 0 0 0 0
27 61 1 0 0 0 0
20 59 1 0 0 0 0
10 49 1 0 0 0 0
9 48 1 0 0 0 0
17 53 1 0 0 0 0
17 54 1 0 0 0 0
17 55 1 0 0 0 0
18 56 1 0 0 0 0
18 57 1 0 0 0 0
18 58 1 0 0 0 0
6 43 1 0 0 0 0
6 44 1 0 0 0 0
5 41 1 0 0 0 0
5 42 1 0 0 0 0
4 40 1 0 0 0 0
1 34 1 0 0 0 0
1 35 1 0 0 0 0
1 36 1 0 0 0 0
3 37 1 0 0 0 0
3 38 1 0 0 0 0
3 39 1 0 0 0 0
8 45 1 0 0 0 0
8 46 1 0 0 0 0
8 47 1 0 0 0 0
M END
> <DATABASE_ID>
NP0037992
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC1=C([H])C([H])=C2OC3=C(C(=O)C2=C1[H])C(O[H])=C(C1=C3C([H])=C([H])[C@](O1)(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C28H30O5/c1-16(2)7-6-13-28(5)14-12-20-26(33-28)19(10-8-17(3)4)24(30)23-25(31)21-15-18(29)9-11-22(21)32-27(20)23/h7-9,11-12,14-15,29-30H,6,10,13H2,1-5H3/t28-/m0/s1
> <INCHI_KEY>
UYHISJVOASPZNX-NDEPHWFRSA-N
> <FORMULA>
C28H30O5
> <MOLECULAR_WEIGHT>
446.543
> <EXACT_MASS>
446.209324066
> <JCHEM_ACCEPTOR_COUNT>
4
> <JCHEM_ATOM_COUNT>
63
> <JCHEM_AVERAGE_POLARIZABILITY>
50.52432259687004
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
2
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-8,11-dihydroxy-2-methyl-12-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2,10-dihydro-1,5-dioxatetraphen-10-one
> <ALOGPS_LOGP>
5.84
> <JCHEM_LOGP>
7.3693679833333325
> <ALOGPS_LOGS>
-5.49
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
4
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
9.18352386186808
> <JCHEM_PKA_STRONGEST_ACIDIC>
8.303592237788529
> <JCHEM_PKA_STRONGEST_BASIC>
-3.7407476762543195
> <JCHEM_POLAR_SURFACE_AREA>
75.99000000000001
> <JCHEM_REFRACTIVITY>
133.13989999999995
> <JCHEM_ROTATABLE_BOND_COUNT>
5
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.44e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-8,11-dihydroxy-2-methyl-12-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-1,5-dioxatetraphen-10-one
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0037992 (cochinchinone J)
RDKit 3D
63 66 0 0 0 0 0 0 0 0999 V2000
-2.0570 -6.1143 1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1955 -4.8788 1.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2721 -5.1489 1.2201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7437 -3.6574 1.5551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0417 -2.3258 1.5247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 -1.7839 2.9443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1488 -0.3967 2.9915 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1099 0.0888 4.4494 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2695 -0.4723 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7040 0.2098 1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7615 1.0632 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5548 1.1815 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4982 1.9927 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9276 2.0882 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8163 1.0379 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4915 0.0435 1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3419 -0.9063 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4824 -0.2370 2.4835 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0982 2.6750 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0335 3.4461 -1.2896 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2146 2.5632 -1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6458 3.2762 -2.3348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1354 3.9893 -2.9564 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 3.1020 -2.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5151 3.7492 -3.9099 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8401 3.5543 -4.2818 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3648 4.1580 -5.3850 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.7315 -3.5348 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1875 2.0903 -2.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8593 2.2765 -2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4481 1.6157 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1445 1.7639 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0013 0.5336 2.2997 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1188 -5.8792 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9502 -6.6644 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7600 -6.7715 2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6155 -5.8804 1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4570 -5.5565 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8953 -4.2600 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 -3.5842 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0915 -2.3940 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -1.6368 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8138 -1.7124 3.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 -2.5070 3.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.1744 4.8596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3329 1.0901 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4656 -0.5861 5.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9605 -1.1205 3.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 0.1290 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 2.0642 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3413 3.0751 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9130 1.1386 -0.6847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9780 -1.9323 0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3323 -0.6721 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3817 -0.8637 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7988 0.4001 3.0473 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4859 -0.0943 2.8978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1814 -1.2738 2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 3.8595 -2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 4.3896 -4.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6762 4.6976 -5.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7120 2.5900 -3.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8427 1.4478 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
22 23 2 0
24 22 1 0
26 27 1 0
30 31 1 0
19 20 1 0
12 11 2 0
31 32 1 0
21 22 1 0
21 32 2 0
29 30 2 0
24 25 2 0
24 30 1 0
12 33 1 0
11 10 1 0
10 9 2 0
9 7 1 0
7 33 1 0
21 19 1 0
15 16 2 3
32 11 1 0
16 17 1 0
13 19 2 0
16 18 1 0
13 12 1 0
7 6 1 1
6 5 1 0
26 28 2 0
5 4 1 0
26 25 1 0
4 2 2 3
13 14 1 0
2 1 1 0
15 14 1 0
2 3 1 0
28 29 1 0
7 8 1 0
28 62 1 0
29 63 1 0
25 60 1 0
15 52 1 0
14 50 1 0
14 51 1 0
27 61 1 0
20 59 1 0
10 49 1 0
9 48 1 0
17 53 1 0
17 54 1 0
17 55 1 0
18 56 1 0
18 57 1 0
18 58 1 0
6 43 1 0
6 44 1 0
5 41 1 0
5 42 1 0
4 40 1 0
1 34 1 0
1 35 1 0
1 36 1 0
3 37 1 0
3 38 1 0
3 39 1 0
8 45 1 0
8 46 1 0
8 47 1 0
M END
PDB for NP0037992 (cochinchinone J)HEADER PROTEIN 20-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 20-JUN-21 0 HETATM 1 C UNK 0 -2.057 -6.114 1.424 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.196 -4.879 1.405 0.00 0.00 C+0 HETATM 3 C UNK 0 0.272 -5.149 1.220 0.00 0.00 C+0 HETATM 4 C UNK 0 -1.744 -3.657 1.555 0.00 0.00 C+0 HETATM 5 C UNK 0 -1.042 -2.326 1.525 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.831 -1.784 2.944 0.00 0.00 C+0 HETATM 7 C UNK 0 -0.149 -0.397 2.991 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.110 0.089 4.449 0.00 0.00 C+0 HETATM 9 C UNK 0 1.270 -0.472 2.483 0.00 0.00 C+0 HETATM 10 C UNK 0 1.704 0.210 1.422 0.00 0.00 C+0 HETATM 11 C UNK 0 0.762 1.063 0.703 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.555 1.182 1.179 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.498 1.993 0.514 0.00 0.00 C+0 HETATM 14 C UNK 0 -2.928 2.088 1.013 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.816 1.038 0.397 0.00 0.00 C+0 HETATM 16 C UNK 0 -4.492 0.044 1.007 0.00 0.00 C+0 HETATM 17 C UNK 0 -5.342 -0.906 0.204 0.00 0.00 C+0 HETATM 18 C UNK 0 -4.482 -0.237 2.483 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.098 2.675 -0.644 0.00 0.00 C+0 HETATM 20 O UNK 0 -2.034 3.446 -1.290 0.00 0.00 O+0 HETATM 21 C UNK 0 0.215 2.563 -1.122 0.00 0.00 C+0 HETATM 22 C UNK 0 0.646 3.276 -2.335 0.00 0.00 C+0 HETATM 23 O UNK 0 -0.135 3.989 -2.956 0.00 0.00 O+0 HETATM 24 C UNK 0 2.035 3.102 -2.767 0.00 0.00 C+0 HETATM 25 C UNK 0 2.515 3.749 -3.910 0.00 0.00 C+0 HETATM 26 C UNK 0 3.840 3.554 -4.282 0.00 0.00 C+0 HETATM 27 O UNK 0 4.365 4.158 -5.385 0.00 0.00 O+0 HETATM 28 C UNK 0 4.678 2.732 -3.535 0.00 0.00 C+0 HETATM 29 C UNK 0 4.188 2.090 -2.395 0.00 0.00 C+0 HETATM 30 C UNK 0 2.859 2.276 -2.010 0.00 0.00 C+0 HETATM 31 O UNK 0 2.448 1.616 -0.882 0.00 0.00 O+0 HETATM 32 C UNK 0 1.145 1.764 -0.456 0.00 0.00 C+0 HETATM 33 O UNK 0 -1.001 0.534 2.300 0.00 0.00 O+0 HETATM 34 H UNK 0 -3.119 -5.879 1.552 0.00 0.00 H+0 HETATM 35 H UNK 0 -1.950 -6.664 0.483 0.00 0.00 H+0 HETATM 36 H UNK 0 -1.760 -6.771 2.248 0.00 0.00 H+0 HETATM 37 H UNK 0 0.616 -5.880 1.960 0.00 0.00 H+0 HETATM 38 H UNK 0 0.457 -5.556 0.221 0.00 0.00 H+0 HETATM 39 H UNK 0 0.895 -4.260 1.342 0.00 0.00 H+0 HETATM 40 H UNK 0 -2.822 -3.584 1.697 0.00 0.00 H+0 HETATM 41 H UNK 0 -0.092 -2.394 0.988 0.00 0.00 H+0 HETATM 42 H UNK 0 -1.665 -1.637 0.943 0.00 0.00 H+0 HETATM 43 H UNK 0 -1.814 -1.712 3.430 0.00 0.00 H+0 HETATM 44 H UNK 0 -0.245 -2.507 3.528 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.123 0.174 4.860 0.00 0.00 H+0 HETATM 46 H UNK 0 0.333 1.090 4.517 0.00 0.00 H+0 HETATM 47 H UNK 0 0.466 -0.586 5.093 0.00 0.00 H+0 HETATM 48 H UNK 0 1.960 -1.121 3.017 0.00 0.00 H+0 HETATM 49 H UNK 0 2.731 0.129 1.085 0.00 0.00 H+0 HETATM 50 H UNK 0 -2.940 2.064 2.107 0.00 0.00 H+0 HETATM 51 H UNK 0 -3.341 3.075 0.769 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.913 1.139 -0.685 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.978 -1.932 0.323 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.332 -0.672 -0.865 0.00 0.00 H+0 HETATM 55 H UNK 0 -6.382 -0.864 0.544 0.00 0.00 H+0 HETATM 56 H UNK 0 -3.799 0.400 3.047 0.00 0.00 H+0 HETATM 57 H UNK 0 -5.486 -0.094 2.898 0.00 0.00 H+0 HETATM 58 H UNK 0 -4.181 -1.274 2.667 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.610 3.860 -2.076 0.00 0.00 H+0 HETATM 60 H UNK 0 1.855 4.390 -4.488 0.00 0.00 H+0 HETATM 61 H UNK 0 3.676 4.698 -5.809 0.00 0.00 H+0 HETATM 62 H UNK 0 5.712 2.590 -3.840 0.00 0.00 H+0 HETATM 63 H UNK 0 4.843 1.448 -1.813 0.00 0.00 H+0 CONECT 1 2 34 35 36 CONECT 2 4 1 3 CONECT 3 2 37 38 39 CONECT 4 5 2 40 CONECT 5 6 4 41 42 CONECT 6 7 5 43 44 CONECT 7 9 33 6 8 CONECT 8 7 45 46 47 CONECT 9 10 7 48 CONECT 10 11 9 49 CONECT 11 12 10 32 CONECT 12 11 33 13 CONECT 13 19 12 14 CONECT 14 13 15 50 51 CONECT 15 16 14 52 CONECT 16 15 17 18 CONECT 17 16 53 54 55 CONECT 18 16 56 57 58 CONECT 19 20 21 13 CONECT 20 19 59 CONECT 21 22 32 19 CONECT 22 23 24 21 CONECT 23 22 CONECT 24 22 25 30 CONECT 25 24 26 60 CONECT 26 27 28 25 CONECT 27 26 61 CONECT 28 26 29 62 CONECT 29 30 28 63 CONECT 30 31 29 24 CONECT 31 30 32 CONECT 32 31 21 11 CONECT 33 12 7 CONECT 34 1 CONECT 35 1 CONECT 36 1 CONECT 37 3 CONECT 38 3 CONECT 39 3 CONECT 40 4 CONECT 41 5 CONECT 42 5 CONECT 43 6 CONECT 44 6 CONECT 45 8 CONECT 46 8 CONECT 47 8 CONECT 48 9 CONECT 49 10 CONECT 50 14 CONECT 51 14 CONECT 52 15 CONECT 53 17 CONECT 54 17 CONECT 55 17 CONECT 56 18 CONECT 57 18 CONECT 58 18 CONECT 59 20 CONECT 60 25 CONECT 61 27 CONECT 62 28 CONECT 63 29 MASTER 0 0 0 0 0 0 0 0 63 0 132 0 END SMILES for NP0037992 (cochinchinone J)[H]OC1=C([H])C([H])=C2OC3=C(C(=O)C2=C1[H])C(O[H])=C(C1=C3C([H])=C([H])[C@](O1)(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H] INCHI for NP0037992 (cochinchinone J)InChI=1S/C28H30O5/c1-16(2)7-6-13-28(5)14-12-20-26(33-28)19(10-8-17(3)4)24(30)23-25(31)21-15-18(29)9-11-22(21)32-27(20)23/h7-9,11-12,14-15,29-30H,6,10,13H2,1-5H3/t28-/m0/s1 3D Structure for NP0037992 (cochinchinone J) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C28H30O5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 446.5430 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 446.20932 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-8,11-dihydroxy-2-methyl-12-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-2,10-dihydro-1,5-dioxatetraphen-10-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-8,11-dihydroxy-2-methyl-12-(3-methylbut-2-en-1-yl)-2-(4-methylpent-3-en-1-yl)-1,5-dioxatetraphen-10-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [H]OC1=C([H])C([H])=C2OC3=C(C(=O)C2=C1[H])C(O[H])=C(C1=C3C([H])=C([H])[C@](O1)(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H] | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C28H30O5/c1-16(2)7-6-13-28(5)14-12-20-26(33-28)19(10-8-17(3)4)24(30)23-25(31)21-15-18(29)9-11-22(21)32-27(20)23/h7-9,11-12,14-15,29-30H,6,10,13H2,1-5H3/t28-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | UYHISJVOASPZNX-NDEPHWFRSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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