Showing NP-Card for Tenuifoliose Z (NP0331277)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2022-12-22 08:18:08 UTC | |||||||||||||||
| Updated at | 2024-09-03 04:15:11 UTC | |||||||||||||||
| NP-MRD ID | NP0331277 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/0180 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Tenuifoliose Z | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0331277 (Tenuifoliose Z)
Mrv1652312222209182D
111120 0 0 1 0 999 V2000
2.5678 -6.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7609 -5.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5059 -5.1726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0580 -4.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8649 -4.7311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4170 -4.1180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6719 -3.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2239 -4.2895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7760 -3.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5829 -3.8479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1350 -3.2348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8800 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9419 -3.4064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4940 -2.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1969 -4.1910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0039 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6449 -4.8041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8998 -5.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3478 -6.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8379 -4.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4789 -5.0741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2859 -5.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9268 -5.6872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1818 -6.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9888 -6.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2437 -7.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -8.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9466 -8.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3946 -9.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6495 -10.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0975 -10.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2905 -10.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 -11.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0356 -9.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5876 -9.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0507 -7.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1199 -5.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6990 -5.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4440 -4.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9961 -3.6034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7411 -2.8188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0659 -2.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2931 -2.2057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0382 -1.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1001 -2.3772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6522 -1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3551 -3.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1620 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7141 -2.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8030 -3.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1469 -5.6142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6600 -5.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2121 -6.0558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7641 -5.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5092 -4.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0612 -4.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8682 -4.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4202 -3.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2272 -3.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4821 -4.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2891 -4.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8411 -4.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6481 -4.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5862 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1382 -2.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8833 -1.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7792 -3.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8063 -3.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5446 -6.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7996 -7.3253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3147 -7.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6502 -8.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6246 -7.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1095 -7.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8795 -6.5407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6641 -6.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2772 -6.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0619 -6.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6749 -7.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4596 -6.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6311 -6.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0180 -5.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2334 -5.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1057 -7.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4019 -6.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 -6.5704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4638 -7.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9117 -7.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1667 -8.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6147 -9.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8696 -10.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3176 -10.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 -10.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0414 -11.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8484 -11.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1034 -10.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 -11.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 -12.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0836 -13.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2766 -13.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -14.3436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7853 -14.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -14.9567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3188 -15.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3807 -14.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9327 -15.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6356 -14.0005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4426 -13.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0205 -12.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5725 -11.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9737 -8.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 0 0 0 0
3 4 1 1 0 0 0
5 4 1 1 0 0 0
5 6 1 0 0 0 0
6 7 1 6 0 0 0
6 8 1 0 0 0 0
8 9 1 1 0 0 0
10 9 1 1 0 0 0
10 11 1 0 0 0 0
11 12 1 6 0 0 0
11 13 1 0 0 0 0
13 14 1 1 0 0 0
13 15 1 0 0 0 0
15 16 1 6 0 0 0
15 17 1 0 0 0 0
17 18 1 1 0 0 0
18 19 1 0 0 0 0
17 20 1 0 0 0 0
10 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 6 0 0 0
21 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
29 35 1 0 0 0 0
26 36 2 0 0 0 0
23 37 1 0 0 0 0
5 37 1 0 0 0 0
3 38 1 0 0 0 0
38 39 1 6 0 0 0
40 39 1 1 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 1 0 0 0
43 45 1 0 0 0 0
45 46 1 6 0 0 0
45 47 1 0 0 0 0
47 48 1 1 0 0 0
48 49 1 0 0 0 0
47 50 1 0 0 0 0
40 50 1 0 0 0 0
38 51 1 0 0 0 0
51 52 1 6 0 0 0
53 52 1 6 0 0 0
53 54 1 1 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
64 67 2 0 0 0 0
59 67 1 0 0 0 0
56 68 2 0 0 0 0
53 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 6 0 0 0
71 72 1 0 0 0 0
70 73 1 0 0 0 0
73 74 1 1 0 0 0
73 75 1 0 0 0 0
53 75 1 0 0 0 0
75 76 1 6 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 2 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
81 82 1 0 0 0 0
82 83 2 0 0 0 0
78 83 1 0 0 0 0
77 84 2 0 0 0 0
51 85 1 0 0 0 0
85 86 1 0 0 0 0
2 86 1 0 0 0 0
86 87 1 1 0 0 0
87 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 2 0 0 0 0
91 92 1 0 0 0 0
92 93 2 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
94 97 2 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 1 0 0 0
101103 1 0 0 0 0
103104 1 6 0 0 0
103105 1 0 0 0 0
105106 1 1 0 0 0
105107 1 0 0 0 0
99107 1 0 0 0 0
107108 1 1 0 0 0
97109 1 0 0 0 0
109110 2 0 0 0 0
92110 1 0 0 0 0
89111 2 0 0 0 0
M END
3D SDF for NP0331277 (Tenuifoliose Z)
Mrv1652312222209182D
111120 0 0 1 0 999 V2000
2.5678 -6.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7609 -5.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5059 -5.1726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0580 -4.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8649 -4.7311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4170 -4.1180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6719 -3.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2239 -4.2895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7760 -3.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5829 -3.8479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1350 -3.2348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8800 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9419 -3.4064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4940 -2.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1969 -4.1910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0039 -4.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6449 -4.8041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8998 -5.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3478 -6.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8379 -4.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4789 -5.0741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2859 -5.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9268 -5.6872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1818 -6.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9888 -6.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2437 -7.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6917 -8.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9466 -8.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3946 -9.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6495 -10.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0975 -10.8365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2905 -10.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 -11.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0356 -9.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5876 -9.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0507 -7.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1199 -5.5157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6990 -5.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4440 -4.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9961 -3.6034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7411 -2.8188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0659 -2.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2931 -2.2057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0382 -1.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1001 -2.3772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6522 -1.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3551 -3.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1620 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7141 -2.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8030 -3.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1469 -5.6142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6600 -5.4427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2121 -6.0558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7641 -5.4427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5092 -4.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0612 -4.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8682 -4.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4202 -3.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2272 -3.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4821 -4.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2891 -4.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8411 -4.1180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6481 -4.2895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5862 -3.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1382 -2.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8833 -1.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7792 -3.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8063 -3.2603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5446 -6.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7996 -7.3253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3147 -7.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6502 -8.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6246 -7.3253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1095 -7.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8795 -6.5407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6641 -6.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2772 -6.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0619 -6.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6749 -7.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4596 -6.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6311 -6.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0180 -5.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2334 -5.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1057 -7.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4019 -6.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 -6.5704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4638 -7.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9117 -7.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1667 -8.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6147 -9.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8696 -10.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3176 -10.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4894 -10.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0414 -11.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8484 -11.0335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1034 -10.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 -11.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 -12.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0836 -13.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2766 -13.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0217 -14.3436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7853 -14.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5737 -14.9567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3188 -15.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3807 -14.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9327 -15.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6356 -14.0005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4426 -13.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0205 -12.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5725 -11.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9737 -8.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6 0 0 0
2 3 1 0 0 0 0
3 4 1 1 0 0 0
5 4 1 1 0 0 0
5 6 1 0 0 0 0
6 7 1 6 0 0 0
6 8 1 0 0 0 0
8 9 1 1 0 0 0
10 9 1 1 0 0 0
10 11 1 0 0 0 0
11 12 1 6 0 0 0
11 13 1 0 0 0 0
13 14 1 1 0 0 0
13 15 1 0 0 0 0
15 16 1 6 0 0 0
15 17 1 0 0 0 0
17 18 1 1 0 0 0
18 19 1 0 0 0 0
17 20 1 0 0 0 0
10 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 6 0 0 0
21 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
29 35 1 0 0 0 0
26 36 2 0 0 0 0
23 37 1 0 0 0 0
5 37 1 0 0 0 0
3 38 1 0 0 0 0
38 39 1 6 0 0 0
40 39 1 1 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 1 0 0 0
43 45 1 0 0 0 0
45 46 1 6 0 0 0
45 47 1 0 0 0 0
47 48 1 1 0 0 0
48 49 1 0 0 0 0
47 50 1 0 0 0 0
40 50 1 0 0 0 0
38 51 1 0 0 0 0
51 52 1 6 0 0 0
53 52 1 6 0 0 0
53 54 1 1 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
62 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
64 67 2 0 0 0 0
59 67 1 0 0 0 0
56 68 2 0 0 0 0
53 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 6 0 0 0
71 72 1 0 0 0 0
70 73 1 0 0 0 0
73 74 1 1 0 0 0
73 75 1 0 0 0 0
53 75 1 0 0 0 0
75 76 1 6 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 2 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
81 82 1 0 0 0 0
82 83 2 0 0 0 0
78 83 1 0 0 0 0
77 84 2 0 0 0 0
51 85 1 0 0 0 0
85 86 1 0 0 0 0
2 86 1 0 0 0 0
86 87 1 1 0 0 0
87 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 2 0 0 0 0
91 92 1 0 0 0 0
92 93 2 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
94 97 2 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
99100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 1 0 0 0
101103 1 0 0 0 0
103104 1 6 0 0 0
103105 1 0 0 0 0
105106 1 1 0 0 0
105107 1 0 0 0 0
99107 1 0 0 0 0
107108 1 1 0 0 0
97109 1 0 0 0 0
109110 2 0 0 0 0
92110 1 0 0 0 0
89111 2 0 0 0 0
M END
> <DATABASE_ID>
NP0331277
> <DATABASE_NAME>
NP-MRD
> <SMILES>
COC1=CC(\C=C\C(=O)OC[C@@]2(O[C@H]3O[C@H](COC(=O)\C=C\C4=CC(OC)=C(OC5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C4)[C@@H](O)[C@H](O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)C2=CC=CC=C2)=CC=C1O
> <INCHI_IDENTIFIER>
InChI=1S/C72H88O39/c1-31-49(81)55(87)58(90)67(100-31)101-38-19-12-34(24-40(38)96-3)14-21-47(79)98-29-45-53(85)63(107-70-61(93)62(106-68-59(91)56(88)50(82)41(25-73)102-68)52(84)44(104-70)28-97-46(78)20-13-32-9-16-36(76)17-10-32)64(108-69-60(92)57(89)51(83)42(26-74)103-69)71(105-45)111-72(30-99-48(80)22-15-33-11-18-37(77)39(23-33)95-2)65(54(86)43(27-75)110-72)109-66(94)35-7-5-4-6-8-35/h4-24,31,41-45,49-65,67-71,73-77,81-93H,25-30H2,1-3H3/b20-13+,21-14+,22-15+/t31-,41+,42+,43+,44+,45+,49-,50+,51+,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62-,63-,64+,65-,67?,68-,69-,70-,71+,72-/m0/s1
> <INCHI_KEY>
PCTLVNPWLFWPOF-XJOFILHESA-N
> <FORMULA>
C72H88O39
> <MOLECULAR_WEIGHT>
1577.457
> <EXACT_MASS>
1576.490273014
$$$$
PDB for NP0331277 (Tenuifoliose Z)HEADER PROTEIN 22-DEC-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 22-DEC-22 0 HETATM 1 O UNK 0 4.793 -11.440 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 3.287 -11.120 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 2.811 -9.656 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 3.842 -8.511 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 5.348 -8.831 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 6.378 -7.687 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 6.854 -6.222 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 7.885 -8.007 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 8.915 -6.863 0.000 0.00 0.00 O+0 HETATM 10 C UNK 0 10.421 -7.183 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 11.452 -6.038 0.000 0.00 0.00 C+0 HETATM 12 O UNK 0 10.976 -4.574 0.000 0.00 0.00 O+0 HETATM 13 C UNK 0 12.958 -6.359 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 13.989 -5.214 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 13.434 -7.823 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 14.941 -8.143 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 12.404 -8.968 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 12.880 -10.432 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 11.849 -11.577 0.000 0.00 0.00 O+0 HETATM 20 O UNK 0 10.897 -8.647 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 8.361 -9.472 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 9.867 -9.792 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 7.330 -10.616 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 7.806 -12.081 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 9.312 -12.401 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 9.788 -13.866 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 8.758 -15.010 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 9.234 -16.475 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 8.203 -17.619 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 8.679 -19.084 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 7.649 -20.228 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 6.142 -19.908 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 5.112 -21.052 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 5.666 -18.443 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 6.697 -17.299 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 11.295 -14.186 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 5.824 -10.296 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 1.305 -9.335 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 0.829 -7.871 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 1.859 -6.726 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 1.383 -5.262 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -0.123 -4.942 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 2.414 -4.117 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 1.938 -2.653 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 3.920 -4.437 0.000 0.00 0.00 C+0 HETATM 46 O UNK 0 4.951 -3.293 0.000 0.00 0.00 O+0 HETATM 47 C UNK 0 4.396 -5.902 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 5.902 -6.222 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 6.933 -5.078 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 3.366 -7.047 0.000 0.00 0.00 O+0 HETATM 51 C UNK 0 0.274 -10.480 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 -1.232 -10.160 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 -2.263 -11.304 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -3.293 -10.160 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 -2.817 -8.695 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 -3.848 -7.551 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -5.354 -7.871 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -6.384 -6.726 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -7.891 -7.047 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -8.367 -8.511 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -9.873 -8.831 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 -10.903 -7.687 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 -12.410 -8.007 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 -10.428 -6.222 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 -11.458 -5.078 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 -10.982 -3.613 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -8.921 -5.902 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 -3.372 -6.086 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 -1.017 -12.209 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 -1.493 -13.674 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -0.587 -14.920 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 -1.214 -16.327 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 -3.033 -13.674 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 -3.938 -14.920 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 -3.508 -12.209 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 -4.973 -11.733 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 -6.118 -12.764 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -7.582 -12.288 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 -8.727 -13.318 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 -10.191 -12.843 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -10.511 -11.336 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -9.367 -10.306 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -7.902 -10.782 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 -5.797 -14.270 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 0.750 -11.944 0.000 0.00 0.00 O+0 HETATM 86 C UNK 0 2.256 -12.265 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 2.732 -13.729 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 1.702 -14.874 0.000 0.00 0.00 O+0 HETATM 89 C UNK 0 2.178 -16.338 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 1.147 -17.483 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 1.623 -18.947 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 0.593 -20.092 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 -0.914 -19.772 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 -1.944 -20.916 0.000 0.00 0.00 C+0 HETATM 95 O UNK 0 -3.450 -20.596 0.000 0.00 0.00 O+0 HETATM 96 C UNK 0 -3.926 -19.131 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 -1.468 -22.381 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 -2.499 -23.525 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 -2.023 -24.990 0.000 0.00 0.00 C+0 HETATM 100 O UNK 0 -0.516 -25.310 0.000 0.00 0.00 O+0 HETATM 101 C UNK 0 -0.040 -26.775 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 1.466 -27.095 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 -1.071 -27.919 0.000 0.00 0.00 C+0 HETATM 104 O UNK 0 -0.595 -29.384 0.000 0.00 0.00 O+0 HETATM 105 C UNK 0 -2.577 -27.599 0.000 0.00 0.00 C+0 HETATM 106 O UNK 0 -3.608 -28.743 0.000 0.00 0.00 O+0 HETATM 107 C UNK 0 -3.053 -26.134 0.000 0.00 0.00 C+0 HETATM 108 O UNK 0 -4.560 -25.814 0.000 0.00 0.00 O+0 HETATM 109 C UNK 0 0.038 -22.701 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 1.069 -21.557 0.000 0.00 0.00 C+0 HETATM 111 O UNK 0 3.684 -16.659 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 86 CONECT 3 2 4 38 CONECT 4 3 5 CONECT 5 4 6 37 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 21 CONECT 9 8 10 CONECT 10 9 11 20 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 15 CONECT 14 13 CONECT 15 13 16 17 CONECT 16 15 CONECT 17 15 18 20 CONECT 18 17 19 CONECT 19 18 CONECT 20 17 10 CONECT 21 8 22 23 CONECT 22 21 CONECT 23 21 24 37 CONECT 24 23 25 CONECT 25 24 26 CONECT 26 25 27 36 CONECT 27 26 28 CONECT 28 27 29 CONECT 29 28 30 35 CONECT 30 29 31 CONECT 31 30 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 CONECT 35 34 29 CONECT 36 26 CONECT 37 23 5 CONECT 38 3 39 51 CONECT 39 38 40 CONECT 40 39 41 50 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 45 CONECT 44 43 CONECT 45 43 46 47 CONECT 46 45 CONECT 47 45 48 50 CONECT 48 47 49 CONECT 49 48 CONECT 50 47 40 CONECT 51 38 52 85 CONECT 52 51 53 CONECT 53 52 54 69 75 CONECT 54 53 55 CONECT 55 54 56 CONECT 56 55 57 68 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 67 CONECT 60 59 61 CONECT 61 60 62 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 67 CONECT 65 64 66 CONECT 66 65 CONECT 67 64 59 CONECT 68 56 CONECT 69 53 70 CONECT 70 69 71 73 CONECT 71 70 72 CONECT 72 71 CONECT 73 70 74 75 CONECT 74 73 CONECT 75 73 53 76 CONECT 76 75 77 CONECT 77 76 78 84 CONECT 78 77 79 83 CONECT 79 78 80 CONECT 80 79 81 CONECT 81 80 82 CONECT 82 81 83 CONECT 83 82 78 CONECT 84 77 CONECT 85 51 86 CONECT 86 85 2 87 CONECT 87 86 88 CONECT 88 87 89 CONECT 89 88 90 111 CONECT 90 89 91 CONECT 91 90 92 CONECT 92 91 93 110 CONECT 93 92 94 CONECT 94 93 95 97 CONECT 95 94 96 CONECT 96 95 CONECT 97 94 98 109 CONECT 98 97 99 CONECT 99 98 100 107 CONECT 100 99 101 CONECT 101 100 102 103 CONECT 102 101 CONECT 103 101 104 105 CONECT 104 103 CONECT 105 103 106 107 CONECT 106 105 CONECT 107 105 99 108 CONECT 108 107 CONECT 109 97 110 CONECT 110 109 92 CONECT 111 89 MASTER 0 0 0 0 0 0 0 0 111 0 240 0 END SMILES for NP0331277 (Tenuifoliose Z)COC1=CC(\C=C\C(=O)OC[C@@]2(O[C@H]3O[C@H](COC(=O)\C=C\C4=CC(OC)=C(OC5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C4)[C@@H](O)[C@H](O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)C2=CC=CC=C2)=CC=C1O INCHI for NP0331277 (Tenuifoliose Z)InChI=1S/C72H88O39/c1-31-49(81)55(87)58(90)67(100-31)101-38-19-12-34(24-40(38)96-3)14-21-47(79)98-29-45-53(85)63(107-70-61(93)62(106-68-59(91)56(88)50(82)41(25-73)102-68)52(84)44(104-70)28-97-46(78)20-13-32-9-16-36(76)17-10-32)64(108-69-60(92)57(89)51(83)42(26-74)103-69)71(105-45)111-72(30-99-48(80)22-15-33-11-18-37(77)39(23-33)95-2)65(54(86)43(27-75)110-72)109-66(94)35-7-5-4-6-8-35/h4-24,31,41-45,49-65,67-71,73-77,81-93H,25-30H2,1-3H3/b20-13+,21-14+,22-15+/t31-,41+,42+,43+,44+,45+,49-,50+,51+,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62-,63-,64+,65-,67?,68-,69-,70-,71+,72-/m0/s1 3D Structure for NP0331277 (Tenuifoliose Z) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C72H88O39 | |||||||||||||||
| Average Mass | 1577.4570 Da | |||||||||||||||
| Monoisotopic Mass | 1576.49027 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | COC1=CC(\C=C\C(=O)OC[C@@]2(O[C@H]3O[C@H](COC(=O)\C=C\C4=CC(OC)=C(OC5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C=C4)[C@@H](O)[C@H](O[C@@H]4O[C@H](COC(=O)\C=C\C5=CC=C(O)C=C5)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)C2=CC=CC=C2)=CC=C1O | |||||||||||||||
| InChI Identifier | InChI=1S/C72H88O39/c1-31-49(81)55(87)58(90)67(100-31)101-38-19-12-34(24-40(38)96-3)14-21-47(79)98-29-45-53(85)63(107-70-61(93)62(106-68-59(91)56(88)50(82)41(25-73)102-68)52(84)44(104-70)28-97-46(78)20-13-32-9-16-36(76)17-10-32)64(108-69-60(92)57(89)51(83)42(26-74)103-69)71(105-45)111-72(30-99-48(80)22-15-33-11-18-37(77)39(23-33)95-2)65(54(86)43(27-75)110-72)109-66(94)35-7-5-4-6-8-35/h4-24,31,41-45,49-65,67-71,73-77,81-93H,25-30H2,1-3H3/b20-13+,21-14+,22-15+/t31-,41+,42+,43+,44+,45+,49-,50+,51+,52+,53+,54+,55+,56-,57-,58+,59+,60+,61+,62-,63-,64+,65-,67?,68-,69-,70-,71+,72-/m0/s1 | |||||||||||||||
| InChI Key | PCTLVNPWLFWPOF-XJOFILHESA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
| ||||||||||||||||
| 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 | |||||||||||||||
