Showing NP-Card for trichorzianine 1924B (NP0352542)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2026-02-13 03:45:36 UTC | |||||||||||||||
| Updated at | 2026-04-14 03:35:05 UTC | |||||||||||||||
| NP-MRD ID | NP0352542 | |||||||||||||||
| Natural Product DOI | https://doi.org/10.57994/6611 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | trichorzianine 1924B | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0352542 (trichorzianine 1924B)
Mrv2104 03142300582D
136137 0 0 1 0 999 V2000
1.4895 -11.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6825 -11.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1304 -12.3568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3854 -13.1414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1924 -13.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1666 -13.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0883 -14.5391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4637 -15.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1494 -15.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0768 -14.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0158 -15.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7608 -16.5499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3129 -17.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6998 -17.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9260 -16.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8649 -17.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6100 -18.5607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1620 -19.1738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5489 -19.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7204 -20.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7751 -18.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7140 -19.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4591 -20.5716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0111 -21.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7562 -21.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3082 -22.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0533 -23.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2463 -23.5385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 -23.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8181 -21.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0730 -20.2285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8800 -20.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0515 -20.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7085 -19.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6870 -19.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9419 -19.1008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7489 -18.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9204 -19.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5774 -18.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5559 -18.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8108 -17.9731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6178 -17.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7893 -18.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4462 -16.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4247 -17.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6797 -16.8455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.4866 -16.6739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.7416 -15.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5486 -15.7178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.8035 -14.9332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.6105 -14.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.8654 -13.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6724 -13.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3134 -13.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2515 -14.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5064 -13.5355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.9544 -12.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5675 -12.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3413 -13.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4023 -12.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6573 -11.5246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.4419 -11.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4419 -10.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6573 -10.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1724 -10.8572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3474 -10.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9349 -10.1427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1099 -10.1427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.6974 -10.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8724 -10.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4599 -10.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4599 -11.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6974 -9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8724 -9.4283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4599 -8.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1743 -8.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7454 -9.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0474 -7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2224 -7.9993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8099 -7.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5243 -6.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0954 -7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3974 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -6.5704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1599 -5.8559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5724 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1599 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1599 -2.9980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3974 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3349 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9224 -5.1414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0974 -5.1414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6849 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1401 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5526 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1401 -7.2849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -6.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6849 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1401 -4.4270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5526 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1401 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6849 -2.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 -1.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 -1.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0276 -2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0974 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9224 -6.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8099 -5.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4599 -7.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1099 -8.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9349 -11.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.5954 -12.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4445 -14.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1896 -15.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0387 -17.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7837 -18.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9768 -18.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1079 -19.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2390 -20.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3701 -21.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5210 -19.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6719 -17.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8227 -15.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9736 -13.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4275 -10.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2122 -10.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -11.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1726 -10.1744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 -9.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4697 -8.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5316 -9.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
4 5 1 1 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 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 19 1 0 0 0 0
19 20 1 0 0 0 0
18 21 1 1 0 0 0
18 22 1 0 0 0 0
22 23 1 0 0 0 0
24 23 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 1 0 0 0 0
27 29 2 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
32 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
42 45 1 0 0 0 0
45 46 1 0 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
52 54 1 0 0 0 0
50 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
57 60 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
65 61 1 0 0 0 0
65 64 1 0 0 0 0
65 66 1 1 0 0 0
66 67 1 0 0 0 0
68 67 1 6 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
68 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
75 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
80 82 1 0 0 0 0
80 83 1 0 0 0 0
83 84 1 0 0 0 0
85 84 1 1 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 1 0 0 0 0
88 90 2 0 0 0 0
85 91 1 0 0 0 0
91 92 1 0 0 0 0
93 92 1 6 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
96 98 2 0 0 0 0
93 99 1 0 0 0 0
99100 1 0 0 0 0
101100 1 6 0 0 0
101102 1 0 0 0 0
102103 1 0 0 0 0
101104 1 0 0 0 0
104105 1 0 0 0 0
105106 2 0 0 0 0
106107 1 0 0 0 0
107108 2 0 0 0 0
108109 1 0 0 0 0
109110 2 0 0 0 0
105110 1 0 0 0 0
99111 2 0 0 0 0
91112 2 0 0 0 0
83113 2 0 0 0 0
78114 2 0 0 0 0
73115 2 0 0 0 0
66116 2 0 0 0 0
60117 2 0 0 0 0
55118 2 0 0 0 0
48119 2 0 0 0 0
47120 1 0 0 0 0
120121 1 0 0 0 0
45122 2 0 0 0 0
40123 2 0 0 0 0
35124 2 0 0 0 0
30125 2 0 0 0 0
22126 2 0 0 0 0
16127 2 0 0 0 0
11128 2 0 0 0 0
6129 2 0 0 0 0
2130 1 0 0 0 0
130131 1 0 0 0 0
130132 1 0 0 0 0
130133 1 0 0 0 0
133134 1 0 0 0 0
134135 1 0 0 0 0
134136 2 0 0 0 0
M END
3D SDF for NP0352542 (trichorzianine 1924B)
Mrv2104 03142300582D
136137 0 0 1 0 999 V2000
1.4895 -11.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6825 -11.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1304 -12.3568 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3854 -13.1414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1924 -13.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1666 -13.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0883 -14.5391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4637 -15.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1494 -15.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0768 -14.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0158 -15.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7608 -16.5499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3129 -17.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6998 -17.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9260 -16.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8649 -17.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6100 -18.5607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1620 -19.1738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5489 -19.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7204 -20.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7751 -18.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7140 -19.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4591 -20.5716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0111 -21.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7562 -21.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3082 -22.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0533 -23.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2463 -23.5385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 -23.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8181 -21.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0730 -20.2285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8800 -20.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0515 -20.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7085 -19.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6870 -19.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9419 -19.1008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7489 -18.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9204 -19.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5774 -18.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5559 -18.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8108 -17.9731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6178 -17.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7893 -18.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4462 -16.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4247 -17.6301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6797 -16.8455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.4866 -16.6739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.7416 -15.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5486 -15.7178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.8035 -14.9332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.6105 -14.7616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.8654 -13.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.6724 -13.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3134 -13.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2515 -14.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5064 -13.5355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.9544 -12.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.5675 -12.3703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3413 -13.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4023 -12.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6573 -11.5246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.4419 -11.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4419 -10.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6573 -10.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1724 -10.8572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.3474 -10.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9349 -10.1427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.1099 -10.1427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.6974 -10.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8724 -10.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4599 -10.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4599 -11.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6974 -9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8724 -9.4283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4599 -8.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1743 -8.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7454 -9.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0474 -7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2224 -7.9993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8099 -7.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5243 -6.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0954 -7.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3974 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -6.5704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1599 -5.8559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.5724 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1599 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1599 -2.9980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3974 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3349 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9224 -5.1414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0974 -5.1414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.6849 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1401 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5526 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1401 -7.2849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -6.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6849 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1401 -4.4270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5526 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1401 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6849 -2.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3776 -2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 -1.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 -1.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0276 -2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 -2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0974 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9224 -6.5704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8099 -5.8559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4599 -7.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1099 -8.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9349 -11.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.5954 -12.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.4445 -14.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1896 -15.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0387 -17.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7837 -18.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9768 -18.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1079 -19.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2390 -20.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3701 -21.6262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5210 -19.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6719 -17.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8227 -15.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9736 -13.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4275 -10.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2122 -10.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -11.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1726 -10.1744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 -9.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4697 -8.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5316 -9.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
4 5 1 1 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 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 19 1 0 0 0 0
19 20 1 0 0 0 0
18 21 1 1 0 0 0
18 22 1 0 0 0 0
22 23 1 0 0 0 0
24 23 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 1 0 0 0 0
27 29 2 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
32 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
42 45 1 0 0 0 0
45 46 1 0 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
52 54 1 0 0 0 0
50 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
57 59 1 0 0 0 0
57 60 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
65 61 1 0 0 0 0
65 64 1 0 0 0 0
65 66 1 1 0 0 0
66 67 1 0 0 0 0
68 67 1 6 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
68 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
75 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
80 82 1 0 0 0 0
80 83 1 0 0 0 0
83 84 1 0 0 0 0
85 84 1 1 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 1 0 0 0 0
88 90 2 0 0 0 0
85 91 1 0 0 0 0
91 92 1 0 0 0 0
93 92 1 6 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
96 98 2 0 0 0 0
93 99 1 0 0 0 0
99100 1 0 0 0 0
101100 1 6 0 0 0
101102 1 0 0 0 0
102103 1 0 0 0 0
101104 1 0 0 0 0
104105 1 0 0 0 0
105106 2 0 0 0 0
106107 1 0 0 0 0
107108 2 0 0 0 0
108109 1 0 0 0 0
109110 2 0 0 0 0
105110 1 0 0 0 0
99111 2 0 0 0 0
91112 2 0 0 0 0
83113 2 0 0 0 0
78114 2 0 0 0 0
73115 2 0 0 0 0
66116 2 0 0 0 0
60117 2 0 0 0 0
55118 2 0 0 0 0
48119 2 0 0 0 0
47120 1 0 0 0 0
120121 1 0 0 0 0
45122 2 0 0 0 0
40123 2 0 0 0 0
35124 2 0 0 0 0
30125 2 0 0 0 0
22126 2 0 0 0 0
16127 2 0 0 0 0
11128 2 0 0 0 0
6129 2 0 0 0 0
2130 1 0 0 0 0
130131 1 0 0 0 0
130132 1 0 0 0 0
130133 1 0 0 0 0
133134 1 0 0 0 0
134135 1 0 0 0 0
134136 2 0 0 0 0
M END
> <DATABASE_ID>
NP0352542
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CC[C@@](C)(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC1=CC=CC=C1
> <INCHI_IDENTIFIER>
InChI=1S/C90H150N22O24/c1-27-90(26,111-78(134)88(22,23)110-74(130)84(14,15)103-63(119)49(6)94-71(127)81(8,9)102-50(7)115)79(135)100-55(37-40-62(93)118)67(123)104-85(16,17)76(132)109-87(20,21)77(133)108-83(12,13)73(129)101-58(46-114)66(122)97-56(42-47(2)3)69(125)106-89(24,25)80(136)112-41-31-34-59(112)70(126)98-57(43-48(4)5)68(124)105-86(18,19)75(131)107-82(10,11)72(128)99-54(36-39-61(92)117)65(121)96-53(35-38-60(91)116)64(120)95-52(45-113)44-51-32-29-28-30-33-51/h28-30,32-33,47-49,52-59,113-114H,27,31,34-46H2,1-26H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,127)(H,95,120)(H,96,121)(H,97,122)(H,98,126)(H,99,128)(H,100,135)(H,101,129)(H,102,115)(H,103,119)(H,104,123)(H,105,124)(H,106,125)(H,107,131)(H,108,133)(H,109,132)(H,110,130)(H,111,134)/t49-,52-,53-,54-,55-,56-,57-,58-,59-,90+/m0/s1
> <INCHI_KEY>
ZOWQRFFZWKYPOL-CQNDJNBFSA-N
> <FORMULA>
C90H150N22O24
> <MOLECULAR_WEIGHT>
1924.32
> <EXACT_MASS>
1923.119333798
$$$$
PDB for NP0352542 (trichorzianine 1924B)HEADER PROTEIN 14-MAR-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 14-MAR-23 0 HETATM 1 O UNK 0 2.780 -22.242 0.000 0.00 0.00 O+0 HETATM 2 C UNK 0 1.274 -21.922 0.000 0.00 0.00 C+0 HETATM 3 N UNK 0 0.244 -23.066 0.000 0.00 0.00 N+0 HETATM 4 C UNK 0 0.719 -24.531 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 2.226 -24.851 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.311 -25.675 0.000 0.00 0.00 C+0 HETATM 7 N UNK 0 0.165 -27.140 0.000 0.00 0.00 N+0 HETATM 8 C UNK 0 -0.866 -28.284 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 0.279 -29.315 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.010 -27.254 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -1.896 -29.429 0.000 0.00 0.00 C+0 HETATM 12 N UNK 0 -1.420 -30.893 0.000 0.00 0.00 N+0 HETATM 13 C UNK 0 -2.451 -32.038 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.306 -33.068 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.595 -31.007 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.481 -33.182 0.000 0.00 0.00 C+0 HETATM 17 N UNK 0 -3.005 -34.647 0.000 0.00 0.00 N+0 HETATM 18 C UNK 0 -4.036 -35.791 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -2.891 -36.822 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.211 -38.328 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -5.180 -34.761 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.066 -36.936 0.000 0.00 0.00 C+0 HETATM 23 N UNK 0 -4.590 -38.400 0.000 0.00 0.00 N+0 HETATM 24 C UNK 0 -5.621 -39.545 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.145 -41.009 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -6.175 -42.154 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -5.699 -43.618 0.000 0.00 0.00 C+0 HETATM 28 N UNK 0 -4.193 -43.939 0.000 0.00 0.00 N+0 HETATM 29 O UNK 0 -6.730 -44.763 0.000 0.00 0.00 O+0 HETATM 30 C UNK 0 -7.127 -39.224 0.000 0.00 0.00 C+0 HETATM 31 N UNK 0 -7.603 -37.760 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 -9.109 -37.440 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -9.430 -38.946 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 -8.789 -35.933 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -10.616 -37.119 0.000 0.00 0.00 C+0 HETATM 36 N UNK 0 -11.092 -35.655 0.000 0.00 0.00 N+0 HETATM 37 C UNK 0 -12.598 -35.335 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -12.918 -36.841 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -12.278 -33.828 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -14.104 -35.015 0.000 0.00 0.00 C+0 HETATM 41 N UNK 0 -14.580 -33.550 0.000 0.00 0.00 N+0 HETATM 42 C UNK 0 -16.086 -33.230 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -16.407 -34.736 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -15.766 -31.723 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -17.593 -32.910 0.000 0.00 0.00 C+0 HETATM 46 N UNK 0 -18.069 -31.445 0.000 0.00 0.00 N+0 HETATM 47 C UNK 0 -19.575 -31.125 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -20.051 -29.660 0.000 0.00 0.00 C+0 HETATM 49 N UNK 0 -21.557 -29.340 0.000 0.00 0.00 N+0 HETATM 50 C UNK 0 -22.033 -27.875 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 -23.540 -27.555 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 -24.015 -26.090 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -25.522 -25.770 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -22.985 -24.946 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -21.003 -26.731 0.000 0.00 0.00 C+0 HETATM 56 N UNK 0 -21.479 -25.266 0.000 0.00 0.00 N+0 HETATM 57 C UNK 0 -20.448 -24.122 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -21.593 -23.091 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -19.304 -25.152 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -19.418 -22.977 0.000 0.00 0.00 C+0 HETATM 61 N UNK 0 -19.894 -21.513 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 -21.358 -21.037 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -21.358 -19.497 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 -19.894 -19.021 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -18.988 -20.267 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -17.448 -20.267 0.000 0.00 0.00 C+0 HETATM 67 N UNK 0 -16.678 -18.933 0.000 0.00 0.00 N+0 HETATM 68 C UNK 0 -15.138 -18.933 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -14.368 -20.267 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -12.828 -20.267 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -12.058 -18.933 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -12.058 -21.600 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -14.368 -17.599 0.000 0.00 0.00 C+0 HETATM 74 N UNK 0 -12.828 -17.599 0.000 0.00 0.00 N+0 HETATM 75 C UNK 0 -12.058 -16.266 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -13.392 -15.496 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -10.725 -17.036 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -11.288 -14.932 0.000 0.00 0.00 C+0 HETATM 79 N UNK 0 -9.748 -14.932 0.000 0.00 0.00 N+0 HETATM 80 C UNK 0 -8.978 -13.598 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -10.312 -12.828 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -7.645 -14.368 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -8.208 -12.265 0.000 0.00 0.00 C+0 HETATM 84 N UNK 0 -6.668 -12.265 0.000 0.00 0.00 N+0 HETATM 85 C UNK 0 -5.898 -10.931 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 -6.668 -9.597 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -5.898 -8.264 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 -6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 89 N UNK 0 -5.898 -5.596 0.000 0.00 0.00 N+0 HETATM 90 O UNK 0 -8.208 -6.930 0.000 0.00 0.00 O+0 HETATM 91 C UNK 0 -4.358 -10.931 0.000 0.00 0.00 C+0 HETATM 92 N UNK 0 -3.588 -9.597 0.000 0.00 0.00 N+0 HETATM 93 C UNK 0 -2.048 -9.597 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 -1.278 -10.931 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 0.262 -10.931 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 1.032 -12.265 0.000 0.00 0.00 C+0 HETATM 97 N UNK 0 0.262 -13.598 0.000 0.00 0.00 N+0 HETATM 98 O UNK 0 2.572 -12.265 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 -1.278 -8.264 0.000 0.00 0.00 C+0 HETATM 100 N UNK 0 0.262 -8.264 0.000 0.00 0.00 N+0 HETATM 101 C UNK 0 1.032 -6.930 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 0.262 -5.596 0.000 0.00 0.00 C+0 HETATM 103 O UNK 0 -1.278 -5.596 0.000 0.00 0.00 O+0 HETATM 104 C UNK 0 2.572 -6.930 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 3.342 -5.596 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 2.572 -4.263 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 3.342 -2.929 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 4.882 -2.929 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 5.652 -4.263 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 4.882 -5.596 0.000 0.00 0.00 C+0 HETATM 111 O UNK 0 -2.048 -6.930 0.000 0.00 0.00 O+0 HETATM 112 O UNK 0 -3.588 -12.265 0.000 0.00 0.00 O+0 HETATM 113 O UNK 0 -8.978 -10.931 0.000 0.00 0.00 O+0 HETATM 114 O UNK 0 -12.058 -13.598 0.000 0.00 0.00 O+0 HETATM 115 O UNK 0 -15.138 -16.266 0.000 0.00 0.00 O+0 HETATM 116 O UNK 0 -16.678 -21.600 0.000 0.00 0.00 O+0 HETATM 117 O UNK 0 -17.911 -23.297 0.000 0.00 0.00 O+0 HETATM 118 O UNK 0 -19.496 -27.051 0.000 0.00 0.00 O+0 HETATM 119 O UNK 0 -19.021 -28.516 0.000 0.00 0.00 O+0 HETATM 120 C UNK 0 -20.606 -32.269 0.000 0.00 0.00 C+0 HETATM 121 O UNK 0 -20.130 -33.734 0.000 0.00 0.00 O+0 HETATM 122 O UNK 0 -18.623 -34.054 0.000 0.00 0.00 O+0 HETATM 123 O UNK 0 -15.135 -36.159 0.000 0.00 0.00 O+0 HETATM 124 O UNK 0 -11.646 -38.264 0.000 0.00 0.00 O+0 HETATM 125 O UNK 0 -8.158 -40.369 0.000 0.00 0.00 O+0 HETATM 126 O UNK 0 -6.573 -36.615 0.000 0.00 0.00 O+0 HETATM 127 O UNK 0 -4.987 -32.862 0.000 0.00 0.00 O+0 HETATM 128 O UNK 0 -3.402 -29.108 0.000 0.00 0.00 O+0 HETATM 129 O UNK 0 -1.817 -25.355 0.000 0.00 0.00 O+0 HETATM 130 C UNK 0 0.798 -20.457 0.000 0.00 0.00 C+0 HETATM 131 C UNK 0 2.263 -19.981 0.000 0.00 0.00 C+0 HETATM 132 C UNK 0 -0.667 -20.933 0.000 0.00 0.00 C+0 HETATM 133 N UNK 0 0.322 -18.992 0.000 0.00 0.00 N+0 HETATM 134 C UNK 0 1.353 -17.848 0.000 0.00 0.00 C+0 HETATM 135 C UNK 0 0.877 -16.383 0.000 0.00 0.00 C+0 HETATM 136 O UNK 0 2.859 -18.168 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 130 CONECT 3 2 4 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 129 CONECT 7 6 8 CONECT 8 7 9 10 11 CONECT 9 8 CONECT 10 8 CONECT 11 8 12 128 CONECT 12 11 13 CONECT 13 12 14 15 16 CONECT 14 13 CONECT 15 13 CONECT 16 13 17 127 CONECT 17 16 18 CONECT 18 17 19 21 22 CONECT 19 18 20 CONECT 20 19 CONECT 21 18 CONECT 22 18 23 126 CONECT 23 22 24 CONECT 24 23 25 30 CONECT 25 24 26 CONECT 26 25 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 CONECT 30 24 31 125 CONECT 31 30 32 CONECT 32 31 33 34 35 CONECT 33 32 CONECT 34 32 CONECT 35 32 36 124 CONECT 36 35 37 CONECT 37 36 38 39 40 CONECT 38 37 CONECT 39 37 CONECT 40 37 41 123 CONECT 41 40 42 CONECT 42 41 43 44 45 CONECT 43 42 CONECT 44 42 CONECT 45 42 46 122 CONECT 46 45 47 CONECT 47 46 48 120 CONECT 48 47 49 119 CONECT 49 48 50 CONECT 50 49 51 55 CONECT 51 50 52 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 CONECT 55 50 56 118 CONECT 56 55 57 CONECT 57 56 58 59 60 CONECT 58 57 CONECT 59 57 CONECT 60 57 61 117 CONECT 61 60 62 65 CONECT 62 61 63 CONECT 63 62 64 CONECT 64 63 65 CONECT 65 61 64 66 CONECT 66 65 67 116 CONECT 67 66 68 CONECT 68 67 69 73 CONECT 69 68 70 CONECT 70 69 71 72 CONECT 71 70 CONECT 72 70 CONECT 73 68 74 115 CONECT 74 73 75 CONECT 75 74 76 77 78 CONECT 76 75 CONECT 77 75 CONECT 78 75 79 114 CONECT 79 78 80 CONECT 80 79 81 82 83 CONECT 81 80 CONECT 82 80 CONECT 83 80 84 113 CONECT 84 83 85 CONECT 85 84 86 91 CONECT 86 85 87 CONECT 87 86 88 CONECT 88 87 89 90 CONECT 89 88 CONECT 90 88 CONECT 91 85 92 112 CONECT 92 91 93 CONECT 93 92 94 99 CONECT 94 93 95 CONECT 95 94 96 CONECT 96 95 97 98 CONECT 97 96 CONECT 98 96 CONECT 99 93 100 111 CONECT 100 99 101 CONECT 101 100 102 104 CONECT 102 101 103 CONECT 103 102 CONECT 104 101 105 CONECT 105 104 106 110 CONECT 106 105 107 CONECT 107 106 108 CONECT 108 107 109 CONECT 109 108 110 CONECT 110 109 105 CONECT 111 99 CONECT 112 91 CONECT 113 83 CONECT 114 78 CONECT 115 73 CONECT 116 66 CONECT 117 60 CONECT 118 55 CONECT 119 48 CONECT 120 47 121 CONECT 121 120 CONECT 122 45 CONECT 123 40 CONECT 124 35 CONECT 125 30 CONECT 126 22 CONECT 127 16 CONECT 128 11 CONECT 129 6 CONECT 130 2 131 132 133 CONECT 131 130 CONECT 132 130 CONECT 133 130 134 CONECT 134 133 135 136 CONECT 135 134 CONECT 136 134 MASTER 0 0 0 0 0 0 0 0 136 0 274 0 END SMILES for NP0352542 (trichorzianine 1924B)CC[C@@](C)(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC1=CC=CC=C1 INCHI for NP0352542 (trichorzianine 1924B)InChI=1S/C90H150N22O24/c1-27-90(26,111-78(134)88(22,23)110-74(130)84(14,15)103-63(119)49(6)94-71(127)81(8,9)102-50(7)115)79(135)100-55(37-40-62(93)118)67(123)104-85(16,17)76(132)109-87(20,21)77(133)108-83(12,13)73(129)101-58(46-114)66(122)97-56(42-47(2)3)69(125)106-89(24,25)80(136)112-41-31-34-59(112)70(126)98-57(43-48(4)5)68(124)105-86(18,19)75(131)107-82(10,11)72(128)99-54(36-39-61(92)117)65(121)96-53(35-38-60(91)116)64(120)95-52(45-113)44-51-32-29-28-30-33-51/h28-30,32-33,47-49,52-59,113-114H,27,31,34-46H2,1-26H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,127)(H,95,120)(H,96,121)(H,97,122)(H,98,126)(H,99,128)(H,100,135)(H,101,129)(H,102,115)(H,103,119)(H,104,123)(H,105,124)(H,106,125)(H,107,131)(H,108,133)(H,109,132)(H,110,130)(H,111,134)/t49-,52-,53-,54-,55-,56-,57-,58-,59-,90+/m0/s1 3D Structure for NP0352542 (trichorzianine 1924B) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C90H150N22O24 | |||||||||||||||
| Average Mass | 1924.3200 Da | |||||||||||||||
| Monoisotopic Mass | 1923.11933 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CC[C@@](C)(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC1=CC=CC=C1 | |||||||||||||||
| InChI Identifier | InChI=1S/C90H150N22O24/c1-27-90(26,111-78(134)88(22,23)110-74(130)84(14,15)103-63(119)49(6)94-71(127)81(8,9)102-50(7)115)79(135)100-55(37-40-62(93)118)67(123)104-85(16,17)76(132)109-87(20,21)77(133)108-83(12,13)73(129)101-58(46-114)66(122)97-56(42-47(2)3)69(125)106-89(24,25)80(136)112-41-31-34-59(112)70(126)98-57(43-48(4)5)68(124)105-86(18,19)75(131)107-82(10,11)72(128)99-54(36-39-61(92)117)65(121)96-53(35-38-60(91)116)64(120)95-52(45-113)44-51-32-29-28-30-33-51/h28-30,32-33,47-49,52-59,113-114H,27,31,34-46H2,1-26H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,127)(H,95,120)(H,96,121)(H,97,122)(H,98,126)(H,99,128)(H,100,135)(H,101,129)(H,102,115)(H,103,119)(H,104,123)(H,105,124)(H,106,125)(H,107,131)(H,108,133)(H,109,132)(H,110,130)(H,111,134)/t49-,52-,53-,54-,55-,56-,57-,58-,59-,90+/m0/s1 | |||||||||||||||
| InChI Key | ZOWQRFFZWKYPOL-CQNDJNBFSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
| ||||||||||||||||
| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin |
| |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
| |||||||||||||||
| Predicted Properties |
| |||||||||||||||
| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References | ||||||||||||||||
