Showing NP-Card for Malevamide C (NP0003242)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:32:15 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:45:53 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003242 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Malevamide C | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Malevamide C is found in Symploca. Based on a literature review very few articles have been published on (1S,7S,10S,17S,20S,26S,29S,35S,38R,41S,44S,47S)-35-benzyl-10-[(2S)-butan-2-yl]-11,18,39,45-tetrahydroxy-32-(methoxymethyl)-9,14,20,28,31,34,37,38,41,43-decamethyl-47-(2-methylpropyl)-13-(pent-4-yn-1-yl)-17,29,44-tris(propan-2-yl)-16-oxa-3,9,12,19,22,28,31,34,37,40,43,46,49-tridecaazatetracyclo[47.3.0.0³,⁷.0²²,²⁶]Dopentaconta-11,18,39,45-tetraene-2,8,15,21,27,30,33,36,42,48-decone. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003242 (Malevamide C)
Mrv1652307012117073D
233237 0 0 0 0 999 V2000
7.3227 8.6851 -2.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2862 8.1786 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 7.5632 0.1408 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1419 6.5482 0.3128 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2709 5.4378 -0.6946 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2018 4.4049 -0.6291 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5458 3.3900 -1.6633 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5070 2.0205 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7242 1.3504 -2.2409 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3184 1.1526 -0.5562 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4488 1.8809 0.0171 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2455 1.0735 1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5111 2.3778 -0.9686 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5900 3.1185 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5449 -0.0541 -1.3099 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2903 0.1644 -2.5707 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0948 -1.3520 -1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2456 -1.8063 -2.0815 O 0 0 0 0 0 0 0 0 0 0 0 0
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7.5476 -2.3990 0.6522 C 0 0 1 0 0 0 0 0 0 0 0 0
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M END
3D MOL for NP0003242 (Malevamide C)
RDKit 3D
233237 0 0 0 0 0 0 0 0999 V2000
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108232 1 0
108233 1 0
M END
3D SDF for NP0003242 (Malevamide C)
Mrv1652307012117073D
233237 0 0 0 0 999 V2000
7.3227 8.6851 -2.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2862 8.1786 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 7.5632 0.1408 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1419 6.5482 0.3128 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2709 5.4378 -0.6946 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2018 4.4049 -0.6291 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5458 3.3900 -1.6633 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5070 2.0205 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7242 1.3504 -2.2409 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3184 1.1526 -0.5562 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4488 1.8809 0.0171 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2455 1.0735 1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5111 2.3778 -0.9686 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5900 3.1185 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5449 -0.0541 -1.3099 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2903 0.1644 -2.5707 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0948 -1.3520 -1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2456 -1.8063 -2.0815 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2998 -2.4299 -0.1443 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5476 -2.3990 0.6522 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6141 -2.5422 -0.3990 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9261 -3.3281 -1.5119 C 0 0 1 0 0 0 0 0 0 0 0 0
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5.7510 -4.6987 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.9043 -6.3481 1.1119 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0371 -6.8989 -0.2951 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6535 -7.0136 -0.7124 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8636 -7.9830 -1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2914 -8.3579 -2.5244 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6288 -8.6323 -0.9126 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6488 -10.0950 -1.2575 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6468 -10.9758 -0.6530 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0692 -10.6360 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4201 -12.3853 -1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4633 -7.9854 -1.5310 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1740 -7.9014 -1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 -8.5332 -1.6365 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6659 -7.1559 0.1721 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0254 -8.1344 1.1031 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0426 -9.1673 1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 -8.9664 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2266 -6.0945 -0.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4156 -5.1765 -1.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5681 -5.8891 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3969 -5.8860 -0.9726 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2295 -5.6656 1.3323 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2213 -6.7401 1.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8587 -4.3365 1.3070 N 0 0 0 0 0 0 0 0 0 0 0 0
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-4.6211 -3.2620 2.2854 O 0 0 0 0 0 0 0 0 0 0 0 0
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-10.5119 -2.1916 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
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-10.1730 -0.0640 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9936 -0.7314 1.1881 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2340 -1.1956 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5003 0.5752 1.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2095 0.6499 1.5054 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9559 1.9215 0.7629 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3116 2.3376 1.2914 C 0 0 2 0 0 0 0 0 0 0 0 0
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-3.6428 4.0449 -0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4107 7.6041 0.0011 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2742 8.7981 -0.4385 C 0 0 1 0 0 0 0 0 0 0 0 0
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0.3839 6.1912 2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1835 6.4678 3.1450 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8610 6.3307 2.0163 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1707 7.8283 2.2557 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5709 8.7125 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7239 8.2028 3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5378 5.8290 0.9699 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9074 4.7925 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 3.5903 0.4245 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8444 4.9622 -0.9272 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8342 6.2885 -1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3655 9.1538 -3.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1416 8.3458 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2617 7.1042 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3567 6.1189 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
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30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
33 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
39 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
41 45 1 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 1 0 0 0 0
58 59 2 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
60 68 1 0 0 0 0
68 69 1 0 0 0 0
68 70 1 0 0 0 0
70 71 2 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
72 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
81 83 1 0 0 0 0
80 84 1 0 0 0 0
84 85 1 0 0 0 0
84 86 1 0 0 0 0
86 87 2 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 2 0 0 0 0
93 95 1 0 0 0 0
95 96 1 0 0 0 0
95 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 2 0 0 0 0
98100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
101103 1 0 0 0 0
100104 1 0 0 0 0
104105 1 0 0 0 0
105106 2 0 0 0 0
105107 1 0 0 0 0
107108 1 0 0 0 0
107 6 1 0 0 0 0
23 19 1 0 0 0 0
30 26 1 0 0 0 0
67 62 1 0 0 0 0
92 88 1 0 0 0 0
1109 1 0 0 0 0
3110 1 0 0 0 0
3111 1 0 0 0 0
4112 1 0 0 0 0
4113 1 0 0 0 0
5114 1 0 0 0 0
5115 1 0 0 0 0
6116 1 1 0 0 0
7117 1 0 0 0 0
10118 1 1 0 0 0
11119 1 1 0 0 0
12120 1 0 0 0 0
12121 1 0 0 0 0
12122 1 0 0 0 0
13123 1 0 0 0 0
13124 1 0 0 0 0
14125 1 0 0 0 0
14126 1 0 0 0 0
14127 1 0 0 0 0
16128 1 0 0 0 0
16129 1 0 0 0 0
16130 1 0 0 0 0
19131 1 1 0 0 0
20132 1 0 0 0 0
20133 1 0 0 0 0
21134 1 0 0 0 0
21135 1 0 0 0 0
22136 1 0 0 0 0
22137 1 0 0 0 0
26138 1 1 0 0 0
27139 1 0 0 0 0
27140 1 0 0 0 0
28141 1 0 0 0 0
28142 1 0 0 0 0
29143 1 0 0 0 0
29144 1 0 0 0 0
33145 1 1 0 0 0
34146 1 0 0 0 0
34147 1 0 0 0 0
35148 1 1 0 0 0
36149 1 0 0 0 0
36150 1 0 0 0 0
36151 1 0 0 0 0
37152 1 0 0 0 0
37153 1 0 0 0 0
37154 1 0 0 0 0
38155 1 0 0 0 0
41156 1 1 0 0 0
42157 1 1 0 0 0
43158 1 0 0 0 0
43159 1 0 0 0 0
43160 1 0 0 0 0
44161 1 0 0 0 0
44162 1 0 0 0 0
44163 1 0 0 0 0
46164 1 0 0 0 0
46165 1 0 0 0 0
46166 1 0 0 0 0
49167 1 1 0 0 0
50168 1 0 0 0 0
50169 1 0 0 0 0
50170 1 0 0 0 0
51171 1 0 0 0 0
54172 1 6 0 0 0
55173 1 0 0 0 0
55174 1 0 0 0 0
55175 1 0 0 0 0
57176 1 0 0 0 0
57177 1 0 0 0 0
57178 1 0 0 0 0
60179 1 1 0 0 0
61180 1 0 0 0 0
61181 1 0 0 0 0
63182 1 0 0 0 0
64183 1 0 0 0 0
65184 1 0 0 0 0
66185 1 0 0 0 0
67186 1 0 0 0 0
69187 1 0 0 0 0
69188 1 0 0 0 0
69189 1 0 0 0 0
72190 1 1 0 0 0
73191 1 0 0 0 0
73192 1 0 0 0 0
75193 1 0 0 0 0
75194 1 0 0 0 0
75195 1 0 0 0 0
77196 1 0 0 0 0
77197 1 0 0 0 0
77198 1 0 0 0 0
80199 1 1 0 0 0
81200 1 1 0 0 0
82201 1 0 0 0 0
82202 1 0 0 0 0
82203 1 0 0 0 0
83204 1 0 0 0 0
83205 1 0 0 0 0
83206 1 0 0 0 0
85207 1 0 0 0 0
85208 1 0 0 0 0
85209 1 0 0 0 0
88210 1 1 0 0 0
89211 1 0 0 0 0
89212 1 0 0 0 0
90213 1 0 0 0 0
90214 1 0 0 0 0
91215 1 0 0 0 0
91216 1 0 0 0 0
95217 1 1 0 0 0
96218 1 0 0 0 0
96219 1 0 0 0 0
96220 1 0 0 0 0
97221 1 0 0 0 0
100222 1 1 0 0 0
101223 1 1 0 0 0
102224 1 0 0 0 0
102225 1 0 0 0 0
102226 1 0 0 0 0
103227 1 0 0 0 0
103228 1 0 0 0 0
103229 1 0 0 0 0
107230 1 6 0 0 0
108231 1 0 0 0 0
108232 1 0 0 0 0
108233 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003242
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]C#CC([H])([H])C([H])([H])C([H])([H])[C@]1([H])N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]2([H])N(C(=O)[C@@]3([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]4([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(OC(=O)[C@@]1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])OC([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C79H125N13O16/c1-23-25-27-35-55-50(12)79(106)108-65(48(9)10)69(96)81-52(14)71(98)90-39-30-36-57(90)73(100)88(20)63(47(7)8)78(105)86(18)61(44-107-22)76(103)85(17)60(43-54-33-28-26-29-34-54)75(102)84(16)53(15)66(93)80-51(13)70(97)87(19)62(46(5)6)67(94)83-56(42-45(3)4)72(99)91-40-32-38-59(91)77(104)92-41-31-37-58(92)74(101)89(21)64(49(11)24-2)68(95)82-55/h1,26,28-29,33-34,45-53,55-65H,24-25,27,30-32,35-44H2,2-22H3,(H,80,93)(H,81,96)(H,82,95)(H,83,94)/t49-,50-,51-,52-,53+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
> <INCHI_KEY>
AJYHEKJFCQXDSB-PDLWVTQISA-N
> <FORMULA>
C79H125N13O16
> <MOLECULAR_WEIGHT>
1512.944
> <EXACT_MASS>
1511.936724997
> <JCHEM_ACCEPTOR_COUNT>
15
> <JCHEM_ATOM_COUNT>
233
> <JCHEM_AVERAGE_POLARIZABILITY>
168.01029837947024
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
4
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1S,7S,10S,13S,14S,17S,20S,26S,29S,35S,38R,41S,44S,47S)-35-benzyl-10-[(2S)-butan-2-yl]-32-(methoxymethyl)-9,14,20,28,31,34,37,38,41,43-decamethyl-47-(2-methylpropyl)-13-(pent-4-yn-1-yl)-17,29,44-tris(propan-2-yl)-16-oxa-3,9,12,19,22,28,31,34,37,40,43,46,49-tridecaazatetracyclo[47.3.0.0^{3,7}.0^{22,26}]dopentacontane-2,8,11,15,18,21,27,30,33,36,39,42,45,48-tetradecone
> <JCHEM_LOGP>
3.556033803000005
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.31535341719799
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.846976298177431
> <JCHEM_PKA_STRONGEST_BASIC>
-2.1758141266334055
> <JCHEM_POLAR_SURFACE_AREA>
334.71999999999997
> <JCHEM_REFRACTIVITY>
403.8196
> <JCHEM_ROTATABLE_BOND_COUNT>
14
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(1S,7S,10S,13S,14S,17S,20S,26S,29S,35S,38R,41S,44S,47S)-35-benzyl-10-[(2S)-butan-2-yl]-17,29,44-triisopropyl-32-(methoxymethyl)-9,14,20,28,31,34,37,38,41,43-decamethyl-47-(2-methylpropyl)-13-(pent-4-yn-1-yl)-16-oxa-3,9,12,19,22,28,31,34,37,40,43,46,49-tridecaazatetracyclo[47.3.0.0^{3,7}.0^{22,26}]dopentacontane-2,8,11,15,18,21,27,30,33,36,39,42,45,48-tetradecone
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003242 (Malevamide C)
RDKit 3D
233237 0 0 0 0 0 0 0 0999 V2000
7.3227 8.6851 -2.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2862 8.1786 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2656 7.5632 0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1419 6.5482 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2709 5.4378 -0.6946 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2018 4.4049 -0.6291 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5458 3.3900 -1.6633 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5070 2.0205 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7242 1.3504 -2.2409 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3184 1.1526 -0.5562 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4488 1.8809 0.0171 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2455 1.0735 1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5111 2.3778 -0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5900 3.1185 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5449 -0.0541 -1.3099 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2903 0.1644 -2.5707 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0948 -1.3520 -1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2456 -1.8063 -2.0815 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2998 -2.4299 -0.1443 C 0 0 2 0 0 0 0 0 0 0 0 0
7.5476 -2.3990 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6141 -2.5422 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9261 -3.3281 -1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6012 -3.6258 -0.9840 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7510 -4.6987 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4278 -4.9409 -2.4870 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1000 -5.6769 -0.3313 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5608 -5.6334 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9043 -6.3481 1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0371 -6.8989 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6535 -7.0136 -0.7124 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8636 -7.9830 -1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2914 -8.3579 -2.5244 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6288 -8.6323 -0.9126 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6488 -10.0950 -1.2575 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6468 -10.9758 -0.6530 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0692 -10.6360 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4201 -12.3853 -1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4633 -7.9854 -1.5310 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1740 -7.9014 -1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 -8.5332 -1.6365 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6659 -7.1559 0.1721 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0254 -8.1344 1.1031 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0426 -9.1673 1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 -8.9664 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2266 -6.0945 -0.2885 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4156 -5.1765 -1.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5681 -5.8891 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3969 -5.8860 -0.9726 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2295 -5.6656 1.3323 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2213 -6.7401 1.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8587 -4.3365 1.3070 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2280 -4.0473 1.3493 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6211 -3.2620 2.2854 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2867 -4.5378 0.4382 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4889 -5.0099 1.2261 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6079 -3.5932 -0.6094 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4080 -4.0899 -2.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0571 -2.2780 -0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4027 -1.3519 -1.0548 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.2816 -1.7742 0.2609 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3898 -1.7943 -0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6975 -1.3346 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5119 -2.1916 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.7697 -1.8600 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.2257 -0.5748 0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4246 0.2808 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1730 -0.0640 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9936 -0.7314 1.1881 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.2340 -1.1956 2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5003 0.5752 1.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2095 0.6499 1.5054 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9559 1.9215 0.7629 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3116 2.3376 1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5392 1.7116 2.5165 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7878 2.1241 3.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6185 2.4461 -0.5194 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.6958 1.5318 -1.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2175 3.7339 -0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1977 4.0783 -2.0858 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7746 4.8438 0.0694 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.8828 5.8227 0.0159 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.7732 7.0311 0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2849 6.2122 -1.4097 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4884 5.2466 -0.4759 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6428 4.0449 -0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9100 6.4472 -0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7322 6.6693 -2.0590 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4107 7.6041 0.0011 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2742 8.7981 -0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3404 9.9196 -0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1156 9.4924 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 8.0377 -0.3636 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0165 7.3154 -0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6369 7.7423 -2.0995 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2528 6.1608 -0.4523 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3956 4.9314 -1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4239 5.7959 0.9257 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3839 6.1912 2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1835 6.4678 3.1450 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8610 6.3307 2.0163 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1707 7.8283 2.2557 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5709 8.7125 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7239 8.2028 3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5378 5.8290 0.9699 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9074 4.7925 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 3.5903 0.4245 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8444 4.9622 -0.9272 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8342 6.2885 -1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3655 9.1538 -3.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1416 8.3458 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2617 7.1042 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3567 6.1189 1.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1921 7.0312 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2827 4.9512 -0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5077 5.7792 -1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1209 3.9282 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8223 3.8406 -2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5858 0.9632 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1686 2.7991 0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8601 1.7857 1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5171 0.6579 1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8555 0.2841 0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0867 1.5468 -1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1116 3.1213 -1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1685 3.8604 0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2758 2.4013 0.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2219 3.6380 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3072 1.2109 -2.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7107 -0.3566 -3.4065 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2863 -0.2544 -2.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3759 -2.5931 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6803 -1.6236 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5769 -3.3755 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4640 -3.1197 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0210 -1.5978 -0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8244 -2.6488 -2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5664 -4.1639 -1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9946 -5.6673 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -4.6530 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8237 -6.2184 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8204 -7.2499 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7425 -5.7051 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6350 -7.8019 -0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5592 -6.1015 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5219 -8.5851 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5807 -10.4481 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6985 -10.1729 -2.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0003242 (Malevamide C)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 7.323 8.685 -2.238 0.00 0.00 C+0 HETATM 2 C UNK 0 7.286 8.179 -1.166 0.00 0.00 C+0 HETATM 3 C UNK 0 7.266 7.563 0.141 0.00 0.00 C+0 HETATM 4 C UNK 0 6.142 6.548 0.313 0.00 0.00 C+0 HETATM 5 C UNK 0 6.271 5.438 -0.695 0.00 0.00 C+0 HETATM 6 C UNK 0 5.202 4.405 -0.629 0.00 0.00 C+0 HETATM 7 N UNK 0 5.546 3.390 -1.663 0.00 0.00 N+0 HETATM 8 C UNK 0 5.507 2.021 -1.518 0.00 0.00 C+0 HETATM 9 O UNK 0 4.724 1.350 -2.241 0.00 0.00 O+0 HETATM 10 C UNK 0 6.318 1.153 -0.556 0.00 0.00 C+0 HETATM 11 C UNK 0 7.449 1.881 0.017 0.00 0.00 C+0 HETATM 12 C UNK 0 8.245 1.073 1.020 0.00 0.00 C+0 HETATM 13 C UNK 0 8.511 2.378 -0.969 0.00 0.00 C+0 HETATM 14 C UNK 0 9.590 3.119 -0.155 0.00 0.00 C+0 HETATM 15 N UNK 0 6.545 -0.054 -1.310 0.00 0.00 N+0 HETATM 16 C UNK 0 7.290 0.164 -2.571 0.00 0.00 C+0 HETATM 17 C UNK 0 6.095 -1.352 -1.134 0.00 0.00 C+0 HETATM 18 O UNK 0 5.246 -1.806 -2.082 0.00 0.00 O+0 HETATM 19 C UNK 0 6.300 -2.430 -0.144 0.00 0.00 C+0 HETATM 20 C UNK 0 7.548 -2.399 0.652 0.00 0.00 C+0 HETATM 21 C UNK 0 8.614 -2.542 -0.399 0.00 0.00 C+0 HETATM 22 C UNK 0 7.926 -3.328 -1.512 0.00 0.00 C+0 HETATM 23 N UNK 0 6.601 -3.626 -0.984 0.00 0.00 N+0 HETATM 24 C UNK 0 5.751 -4.699 -1.222 0.00 0.00 C+0 HETATM 25 O UNK 0 5.428 -4.941 -2.487 0.00 0.00 O+0 HETATM 26 C UNK 0 5.100 -5.677 -0.331 0.00 0.00 C+0 HETATM 27 C UNK 0 5.561 -5.633 1.096 0.00 0.00 C+0 HETATM 28 C UNK 0 6.904 -6.348 1.112 0.00 0.00 C+0 HETATM 29 C UNK 0 7.037 -6.899 -0.295 0.00 0.00 C+0 HETATM 30 N UNK 0 5.654 -7.014 -0.712 0.00 0.00 N+0 HETATM 31 C UNK 0 4.864 -7.983 -1.356 0.00 0.00 C+0 HETATM 32 O UNK 0 5.291 -8.358 -2.524 0.00 0.00 O+0 HETATM 33 C UNK 0 3.629 -8.632 -0.913 0.00 0.00 C+0 HETATM 34 C UNK 0 3.649 -10.095 -1.258 0.00 0.00 C+0 HETATM 35 C UNK 0 4.647 -10.976 -0.653 0.00 0.00 C+0 HETATM 36 C UNK 0 6.069 -10.636 -0.949 0.00 0.00 C+0 HETATM 37 C UNK 0 4.420 -12.385 -1.248 0.00 0.00 C+0 HETATM 38 N UNK 0 2.463 -7.985 -1.531 0.00 0.00 N+0 HETATM 39 C UNK 0 1.174 -7.901 -1.026 0.00 0.00 C+0 HETATM 40 O UNK 0 0.226 -8.533 -1.637 0.00 0.00 O+0 HETATM 41 C UNK 0 0.666 -7.156 0.172 0.00 0.00 C+0 HETATM 42 C UNK 0 0.025 -8.134 1.103 0.00 0.00 C+0 HETATM 43 C UNK 0 1.043 -9.167 1.577 0.00 0.00 C+0 HETATM 44 C UNK 0 -1.070 -8.966 0.439 0.00 0.00 C+0 HETATM 45 N UNK 0 -0.227 -6.095 -0.289 0.00 0.00 N+0 HETATM 46 C UNK 0 0.416 -5.176 -1.257 0.00 0.00 C+0 HETATM 47 C UNK 0 -1.568 -5.889 0.027 0.00 0.00 C+0 HETATM 48 O UNK 0 -2.397 -5.886 -0.973 0.00 0.00 O+0 HETATM 49 C UNK 0 -2.229 -5.666 1.332 0.00 0.00 C+0 HETATM 50 C UNK 0 -3.221 -6.740 1.704 0.00 0.00 C+0 HETATM 51 N UNK 0 -2.859 -4.337 1.307 0.00 0.00 N+0 HETATM 52 C UNK 0 -4.228 -4.047 1.349 0.00 0.00 C+0 HETATM 53 O UNK 0 -4.621 -3.262 2.285 0.00 0.00 O+0 HETATM 54 C UNK 0 -5.287 -4.538 0.438 0.00 0.00 C+0 HETATM 55 C UNK 0 -6.489 -5.010 1.226 0.00 0.00 C+0 HETATM 56 N UNK 0 -5.608 -3.593 -0.609 0.00 0.00 N+0 HETATM 57 C UNK 0 -5.408 -4.090 -2.004 0.00 0.00 C+0 HETATM 58 C UNK 0 -6.057 -2.278 -0.489 0.00 0.00 C+0 HETATM 59 O UNK 0 -5.403 -1.352 -1.055 0.00 0.00 O+0 HETATM 60 C UNK 0 -7.282 -1.774 0.261 0.00 0.00 C+0 HETATM 61 C UNK 0 -8.390 -1.794 -0.671 0.00 0.00 C+0 HETATM 62 C UNK 0 -9.697 -1.335 -0.192 0.00 0.00 C+0 HETATM 63 C UNK 0 -10.512 -2.192 0.509 0.00 0.00 C+0 HETATM 64 C UNK 0 -11.770 -1.860 0.949 0.00 0.00 C+0 HETATM 65 C UNK 0 -12.226 -0.575 0.655 0.00 0.00 C+0 HETATM 66 C UNK 0 -11.425 0.281 -0.040 0.00 0.00 C+0 HETATM 67 C UNK 0 -10.173 -0.064 -0.470 0.00 0.00 C+0 HETATM 68 N UNK 0 -6.994 -0.731 1.188 0.00 0.00 N+0 HETATM 69 C UNK 0 -7.234 -1.196 2.614 0.00 0.00 C+0 HETATM 70 C UNK 0 -6.500 0.575 1.122 0.00 0.00 C+0 HETATM 71 O UNK 0 -5.210 0.650 1.505 0.00 0.00 O+0 HETATM 72 C UNK 0 -6.956 1.922 0.763 0.00 0.00 C+0 HETATM 73 C UNK 0 -8.312 2.338 1.291 0.00 0.00 C+0 HETATM 74 O UNK 0 -8.539 1.712 2.517 0.00 0.00 O+0 HETATM 75 C UNK 0 -9.788 2.124 3.010 0.00 0.00 C+0 HETATM 76 N UNK 0 -6.619 2.446 -0.519 0.00 0.00 N+0 HETATM 77 C UNK 0 -6.696 1.532 -1.688 0.00 0.00 C+0 HETATM 78 C UNK 0 -6.218 3.734 -0.869 0.00 0.00 C+0 HETATM 79 O UNK 0 -6.198 4.078 -2.086 0.00 0.00 O+0 HETATM 80 C UNK 0 -5.775 4.844 0.069 0.00 0.00 C+0 HETATM 81 C UNK 0 -6.883 5.823 0.016 0.00 0.00 C+0 HETATM 82 C UNK 0 -6.773 7.031 0.894 0.00 0.00 C+0 HETATM 83 C UNK 0 -7.285 6.212 -1.410 0.00 0.00 C+0 HETATM 84 N UNK 0 -4.488 5.247 -0.476 0.00 0.00 N+0 HETATM 85 C UNK 0 -3.643 4.045 -0.795 0.00 0.00 C+0 HETATM 86 C UNK 0 -3.910 6.447 -0.779 0.00 0.00 C+0 HETATM 87 O UNK 0 -3.732 6.669 -2.059 0.00 0.00 O+0 HETATM 88 C UNK 0 -3.411 7.604 0.001 0.00 0.00 C+0 HETATM 89 C UNK 0 -4.274 8.798 -0.439 0.00 0.00 C+0 HETATM 90 C UNK 0 -3.340 9.920 -0.791 0.00 0.00 C+0 HETATM 91 C UNK 0 -2.116 9.492 0.006 0.00 0.00 C+0 HETATM 92 N UNK 0 -2.068 8.038 -0.364 0.00 0.00 N+0 HETATM 93 C UNK 0 -1.016 7.315 -0.928 0.00 0.00 C+0 HETATM 94 O UNK 0 -0.637 7.742 -2.099 0.00 0.00 O+0 HETATM 95 C UNK 0 -0.253 6.161 -0.452 0.00 0.00 C+0 HETATM 96 C UNK 0 -0.396 4.931 -1.310 0.00 0.00 C+0 HETATM 97 N UNK 0 -0.424 5.796 0.926 0.00 0.00 N+0 HETATM 98 C UNK 0 0.384 6.191 2.019 0.00 0.00 C+0 HETATM 99 O UNK 0 -0.184 6.468 3.145 0.00 0.00 O+0 HETATM 100 C UNK 0 1.861 6.331 2.016 0.00 0.00 C+0 HETATM 101 C UNK 0 2.171 7.828 2.256 0.00 0.00 C+0 HETATM 102 C UNK 0 1.571 8.713 1.218 0.00 0.00 C+0 HETATM 103 C UNK 0 1.724 8.203 3.642 0.00 0.00 C+0 HETATM 104 O UNK 0 2.538 5.829 0.970 0.00 0.00 O+0 HETATM 105 C UNK 0 2.907 4.793 0.259 0.00 0.00 C+0 HETATM 106 O UNK 0 2.577 3.590 0.425 0.00 0.00 O+0 HETATM 107 C UNK 0 3.844 4.962 -0.927 0.00 0.00 C+0 HETATM 108 C UNK 0 3.834 6.289 -1.537 0.00 0.00 C+0 HETATM 109 H UNK 0 7.365 9.154 -3.191 0.00 0.00 H+0 HETATM 110 H UNK 0 7.142 8.346 0.935 0.00 0.00 H+0 HETATM 111 H UNK 0 8.262 7.104 0.313 0.00 0.00 H+0 HETATM 112 H UNK 0 6.357 6.119 1.359 0.00 0.00 H+0 HETATM 113 H UNK 0 5.192 7.031 0.416 0.00 0.00 H+0 HETATM 114 H UNK 0 7.283 4.951 -0.398 0.00 0.00 H+0 HETATM 115 H UNK 0 6.508 5.779 -1.724 0.00 0.00 H+0 HETATM 116 H UNK 0 5.121 3.928 0.372 0.00 0.00 H+0 HETATM 117 H UNK 0 5.822 3.841 -2.573 0.00 0.00 H+0 HETATM 118 H UNK 0 5.586 0.963 0.284 0.00 0.00 H+0 HETATM 119 H UNK 0 7.169 2.799 0.586 0.00 0.00 H+0 HETATM 120 H UNK 0 8.860 1.786 1.665 0.00 0.00 H+0 HETATM 121 H UNK 0 7.517 0.658 1.777 0.00 0.00 H+0 HETATM 122 H UNK 0 8.855 0.284 0.600 0.00 0.00 H+0 HETATM 123 H UNK 0 9.087 1.547 -1.422 0.00 0.00 H+0 HETATM 124 H UNK 0 8.112 3.121 -1.675 0.00 0.00 H+0 HETATM 125 H UNK 0 9.168 3.860 0.515 0.00 0.00 H+0 HETATM 126 H UNK 0 10.276 2.401 0.351 0.00 0.00 H+0 HETATM 127 H UNK 0 10.222 3.638 -0.903 0.00 0.00 H+0 HETATM 128 H UNK 0 7.307 1.211 -2.875 0.00 0.00 H+0 HETATM 129 H UNK 0 6.711 -0.357 -3.406 0.00 0.00 H+0 HETATM 130 H UNK 0 8.286 -0.254 -2.587 0.00 0.00 H+0 HETATM 131 H UNK 0 5.376 -2.593 0.446 0.00 0.00 H+0 HETATM 132 H UNK 0 7.680 -1.624 1.389 0.00 0.00 H+0 HETATM 133 H UNK 0 7.577 -3.376 1.222 0.00 0.00 H+0 HETATM 134 H UNK 0 9.464 -3.120 0.029 0.00 0.00 H+0 HETATM 135 H UNK 0 9.021 -1.598 -0.778 0.00 0.00 H+0 HETATM 136 H UNK 0 7.824 -2.649 -2.393 0.00 0.00 H+0 HETATM 137 H UNK 0 8.566 -4.164 -1.743 0.00 0.00 H+0 HETATM 138 H UNK 0 3.995 -5.667 -0.425 0.00 0.00 H+0 HETATM 139 H UNK 0 5.672 -4.653 1.537 0.00 0.00 H+0 HETATM 140 H UNK 0 4.824 -6.218 1.738 0.00 0.00 H+0 HETATM 141 H UNK 0 6.820 -7.250 1.797 0.00 0.00 H+0 HETATM 142 H UNK 0 7.742 -5.705 1.380 0.00 0.00 H+0 HETATM 143 H UNK 0 7.635 -7.802 -0.335 0.00 0.00 H+0 HETATM 144 H UNK 0 7.559 -6.101 -0.901 0.00 0.00 H+0 HETATM 145 H UNK 0 3.522 -8.585 0.208 0.00 0.00 H+0 HETATM 146 H UNK 0 2.581 -10.448 -1.087 0.00 0.00 H+0 HETATM 147 H UNK 0 3.699 -10.173 -2.410 0.00 0.00 H+0 HETATM 148 H UNK 0 4.514 -11.085 0.466 0.00 0.00 H+0 HETATM 149 H UNK 0 6.736 -11.460 -0.489 0.00 0.00 H+0 HETATM 150 H UNK 0 6.321 -10.732 -2.028 0.00 0.00 H+0 HETATM 151 H UNK 0 6.404 -9.705 -0.501 0.00 0.00 H+0 HETATM 152 H UNK 0 3.364 -12.680 -1.085 0.00 0.00 H+0 HETATM 153 H UNK 0 5.019 -13.068 -0.619 0.00 0.00 H+0 HETATM 154 H UNK 0 4.762 -12.449 -2.280 0.00 0.00 H+0 HETATM 155 H UNK 0 2.627 -7.544 -2.493 0.00 0.00 H+0 HETATM 156 H UNK 0 1.536 -6.710 0.724 0.00 0.00 H+0 HETATM 157 H UNK 0 -0.359 -7.678 2.033 0.00 0.00 H+0 HETATM 158 H UNK 0 1.932 -8.647 1.980 0.00 0.00 H+0 HETATM 159 H UNK 0 1.353 -9.855 0.798 0.00 0.00 H+0 HETATM 160 H UNK 0 0.581 -9.702 2.441 0.00 0.00 H+0 HETATM 161 H UNK 0 -0.662 -9.892 -0.016 0.00 0.00 H+0 HETATM 162 H UNK 0 -1.660 -8.437 -0.294 0.00 0.00 H+0 HETATM 163 H UNK 0 -1.730 -9.345 1.276 0.00 0.00 H+0 HETATM 164 H UNK 0 1.507 -5.155 -1.069 0.00 0.00 H+0 HETATM 165 H UNK 0 0.064 -4.163 -1.241 0.00 0.00 H+0 HETATM 166 H UNK 0 0.299 -5.635 -2.280 0.00 0.00 H+0 HETATM 167 H UNK 0 -1.477 -5.639 2.169 0.00 0.00 H+0 HETATM 168 H UNK 0 -4.066 -6.351 2.314 0.00 0.00 H+0 HETATM 169 H UNK 0 -3.561 -7.326 0.820 0.00 0.00 H+0 HETATM 170 H UNK 0 -2.736 -7.500 2.390 0.00 0.00 H+0 HETATM 171 H UNK 0 -2.136 -3.553 1.256 0.00 0.00 H+0 HETATM 172 H UNK 0 -4.866 -5.464 -0.015 0.00 0.00 H+0 HETATM 173 H UNK 0 -6.324 -6.099 1.513 0.00 0.00 H+0 HETATM 174 H UNK 0 -6.574 -4.509 2.211 0.00 0.00 H+0 HETATM 175 H UNK 0 -7.429 -5.038 0.648 0.00 0.00 H+0 HETATM 176 H UNK 0 -5.169 -3.260 -2.684 0.00 0.00 H+0 HETATM 177 H UNK 0 -6.359 -4.561 -2.341 0.00 0.00 H+0 HETATM 178 H UNK 0 -4.639 -4.856 -2.042 0.00 0.00 H+0 HETATM 179 H UNK 0 -7.507 -2.693 0.971 0.00 0.00 H+0 HETATM 180 H UNK 0 -8.586 -2.902 -0.929 0.00 0.00 H+0 HETATM 181 H UNK 0 -8.165 -1.410 -1.705 0.00 0.00 H+0 HETATM 182 H UNK 0 -10.178 -3.209 0.756 0.00 0.00 H+0 HETATM 183 H UNK 0 -12.355 -2.571 1.492 0.00 0.00 H+0 HETATM 184 H UNK 0 -13.216 -0.332 1.006 0.00 0.00 H+0 HETATM 185 H UNK 0 -11.813 1.276 -0.254 0.00 0.00 H+0 HETATM 186 H UNK 0 -9.537 0.605 -1.033 0.00 0.00 H+0 HETATM 187 H UNK 0 -8.277 -0.991 2.910 0.00 0.00 H+0 HETATM 188 H UNK 0 -7.153 -2.303 2.673 0.00 0.00 H+0 HETATM 189 H UNK 0 -6.474 -0.821 3.299 0.00 0.00 H+0 HETATM 190 H UNK 0 -6.291 2.636 1.456 0.00 0.00 H+0 HETATM 191 H UNK 0 -9.116 2.278 0.566 0.00 0.00 H+0 HETATM 192 H UNK 0 -8.291 3.441 1.581 0.00 0.00 H+0 HETATM 193 H UNK 0 -10.021 1.648 3.968 0.00 0.00 H+0 HETATM 194 H UNK 0 -10.574 2.038 2.260 0.00 0.00 H+0 HETATM 195 H UNK 0 -9.659 3.220 3.225 0.00 0.00 H+0 HETATM 196 H UNK 0 -7.399 2.025 -2.419 0.00 0.00 H+0 HETATM 197 H UNK 0 -5.734 1.384 -2.169 0.00 0.00 H+0 HETATM 198 H UNK 0 -7.184 0.629 -1.346 0.00 0.00 H+0 HETATM 199 H UNK 0 -5.605 4.496 1.082 0.00 0.00 H+0 HETATM 200 H UNK 0 -7.818 5.298 0.381 0.00 0.00 H+0 HETATM 201 H UNK 0 -6.987 7.955 0.273 0.00 0.00 H+0 HETATM 202 H UNK 0 -7.575 7.086 1.686 0.00 0.00 H+0 HETATM 203 H UNK 0 -5.833 7.117 1.455 0.00 0.00 H+0 HETATM 204 H UNK 0 -7.864 7.168 -1.290 0.00 0.00 H+0 HETATM 205 H UNK 0 -6.452 6.370 -2.080 0.00 0.00 H+0 HETATM 206 H UNK 0 -7.996 5.500 -1.863 0.00 0.00 H+0 HETATM 207 H UNK 0 -3.138 4.186 -1.768 0.00 0.00 H+0 HETATM 208 H UNK 0 -3.011 3.760 0.043 0.00 0.00 H+0 HETATM 209 H UNK 0 -4.307 3.150 -0.970 0.00 0.00 H+0 HETATM 210 H UNK 0 -3.443 7.468 1.094 0.00 0.00 H+0 HETATM 211 H UNK 0 -4.909 8.570 -1.297 0.00 0.00 H+0 HETATM 212 H UNK 0 -4.945 9.095 0.413 0.00 0.00 H+0 HETATM 213 H UNK 0 -3.092 9.986 -1.848 0.00 0.00 H+0 HETATM 214 H UNK 0 -3.750 10.890 -0.430 0.00 0.00 H+0 HETATM 215 H UNK 0 -2.336 9.533 1.070 0.00 0.00 H+0 HETATM 216 H UNK 0 -1.296 10.072 -0.379 0.00 0.00 H+0 HETATM 217 H UNK 0 0.858 6.431 -0.515 0.00 0.00 H+0 HETATM 218 H UNK 0 -0.985 5.141 -2.217 0.00 0.00 H+0 HETATM 219 H UNK 0 -0.776 4.107 -0.701 0.00 0.00 H+0 HETATM 220 H UNK 0 0.605 4.612 -1.665 0.00 0.00 H+0 HETATM 221 H UNK 0 -1.253 5.161 1.134 0.00 0.00 H+0 HETATM 222 H UNK 0 2.177 5.846 3.028 0.00 0.00 H+0 HETATM 223 H UNK 0 3.281 7.983 2.240 0.00 0.00 H+0 HETATM 224 H UNK 0 1.804 8.481 0.183 0.00 0.00 H+0 HETATM 225 H UNK 0 1.976 9.752 1.420 0.00 0.00 H+0 HETATM 226 H UNK 0 0.469 8.707 1.360 0.00 0.00 H+0 HETATM 227 H UNK 0 2.393 8.982 4.045 0.00 0.00 H+0 HETATM 228 H UNK 0 1.794 7.322 4.318 0.00 0.00 H+0 HETATM 229 H UNK 0 0.703 8.614 3.599 0.00 0.00 H+0 HETATM 230 H UNK 0 3.413 4.244 -1.730 0.00 0.00 H+0 HETATM 231 H UNK 0 3.265 6.225 -2.537 0.00 0.00 H+0 HETATM 232 H UNK 0 4.818 6.643 -1.843 0.00 0.00 H+0 HETATM 233 H UNK 0 3.351 7.101 -0.937 0.00 0.00 H+0 CONECT 1 2 109 CONECT 2 1 3 CONECT 3 2 4 110 111 CONECT 4 3 5 112 113 CONECT 5 4 6 114 115 CONECT 6 5 7 107 116 CONECT 7 6 8 117 CONECT 8 7 9 10 CONECT 9 8 CONECT 10 8 11 15 118 CONECT 11 10 12 13 119 CONECT 12 11 120 121 122 CONECT 13 11 14 123 124 CONECT 14 13 125 126 127 CONECT 15 10 16 17 CONECT 16 15 128 129 130 CONECT 17 15 18 19 CONECT 18 17 CONECT 19 17 20 23 131 CONECT 20 19 21 132 133 CONECT 21 20 22 134 135 CONECT 22 21 23 136 137 CONECT 23 22 24 19 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 30 138 CONECT 27 26 28 139 140 CONECT 28 27 29 141 142 CONECT 29 28 30 143 144 CONECT 30 29 31 26 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 38 145 CONECT 34 33 35 146 147 CONECT 35 34 36 37 148 CONECT 36 35 149 150 151 CONECT 37 35 152 153 154 CONECT 38 33 39 155 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 45 156 CONECT 42 41 43 44 157 CONECT 43 42 158 159 160 CONECT 44 42 161 162 163 CONECT 45 41 46 47 CONECT 46 45 164 165 166 CONECT 47 45 48 49 CONECT 48 47 CONECT 49 47 50 51 167 CONECT 50 49 168 169 170 CONECT 51 49 52 171 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 56 172 CONECT 55 54 173 174 175 CONECT 56 54 57 58 CONECT 57 56 176 177 178 CONECT 58 56 59 60 CONECT 59 58 CONECT 60 58 61 68 179 CONECT 61 60 62 180 181 CONECT 62 61 63 67 CONECT 63 62 64 182 CONECT 64 63 65 183 CONECT 65 64 66 184 CONECT 66 65 67 185 CONECT 67 66 62 186 CONECT 68 60 69 70 CONECT 69 68 187 188 189 CONECT 70 68 71 72 CONECT 71 70 CONECT 72 70 73 76 190 CONECT 73 72 74 191 192 CONECT 74 73 75 CONECT 75 74 193 194 195 CONECT 76 72 77 78 CONECT 77 76 196 197 198 CONECT 78 76 79 80 CONECT 79 78 CONECT 80 78 81 84 199 CONECT 81 80 82 83 200 CONECT 82 81 201 202 203 CONECT 83 81 204 205 206 CONECT 84 80 85 86 CONECT 85 84 207 208 209 CONECT 86 84 87 88 CONECT 87 86 CONECT 88 86 89 92 210 CONECT 89 88 90 211 212 CONECT 90 89 91 213 214 CONECT 91 90 92 215 216 CONECT 92 91 93 88 CONECT 93 92 94 95 CONECT 94 93 CONECT 95 93 96 97 217 CONECT 96 95 218 219 220 CONECT 97 95 98 221 CONECT 98 97 99 100 CONECT 99 98 CONECT 100 98 101 104 222 CONECT 101 100 102 103 223 CONECT 102 101 224 225 226 CONECT 103 101 227 228 229 CONECT 104 100 105 CONECT 105 104 106 107 CONECT 106 105 CONECT 107 105 108 6 230 CONECT 108 107 231 232 233 CONECT 109 1 CONECT 110 3 CONECT 111 3 CONECT 112 4 CONECT 113 4 CONECT 114 5 CONECT 115 5 CONECT 116 6 CONECT 117 7 CONECT 118 10 CONECT 119 11 CONECT 120 12 CONECT 121 12 CONECT 122 12 CONECT 123 13 CONECT 124 13 CONECT 125 14 CONECT 126 14 CONECT 127 14 CONECT 128 16 CONECT 129 16 CONECT 130 16 CONECT 131 19 CONECT 132 20 CONECT 133 20 CONECT 134 21 CONECT 135 21 CONECT 136 22 CONECT 137 22 CONECT 138 26 CONECT 139 27 CONECT 140 27 CONECT 141 28 CONECT 142 28 CONECT 143 29 CONECT 144 29 CONECT 145 33 CONECT 146 34 CONECT 147 34 CONECT 148 35 CONECT 149 36 CONECT 150 36 CONECT 151 36 CONECT 152 37 CONECT 153 37 CONECT 154 37 CONECT 155 38 CONECT 156 41 CONECT 157 42 CONECT 158 43 CONECT 159 43 CONECT 160 43 CONECT 161 44 CONECT 162 44 CONECT 163 44 CONECT 164 46 CONECT 165 46 CONECT 166 46 CONECT 167 49 CONECT 168 50 CONECT 169 50 CONECT 170 50 CONECT 171 51 CONECT 172 54 CONECT 173 55 CONECT 174 55 CONECT 175 55 CONECT 176 57 CONECT 177 57 CONECT 178 57 CONECT 179 60 CONECT 180 61 CONECT 181 61 CONECT 182 63 CONECT 183 64 CONECT 184 65 CONECT 185 66 CONECT 186 67 CONECT 187 69 CONECT 188 69 CONECT 189 69 CONECT 190 72 CONECT 191 73 CONECT 192 73 CONECT 193 75 CONECT 194 75 CONECT 195 75 CONECT 196 77 CONECT 197 77 CONECT 198 77 CONECT 199 80 CONECT 200 81 CONECT 201 82 CONECT 202 82 CONECT 203 82 CONECT 204 83 CONECT 205 83 CONECT 206 83 CONECT 207 85 CONECT 208 85 CONECT 209 85 CONECT 210 88 CONECT 211 89 CONECT 212 89 CONECT 213 90 CONECT 214 90 CONECT 215 91 CONECT 216 91 CONECT 217 95 CONECT 218 96 CONECT 219 96 CONECT 220 96 CONECT 221 97 CONECT 222 100 CONECT 223 101 CONECT 224 102 CONECT 225 102 CONECT 226 102 CONECT 227 103 CONECT 228 103 CONECT 229 103 CONECT 230 107 CONECT 231 108 CONECT 232 108 CONECT 233 108 MASTER 0 0 0 0 0 0 0 0 233 0 474 0 END SMILES for NP0003242 (Malevamide C)[H]C#CC([H])([H])C([H])([H])C([H])([H])[C@]1([H])N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]2([H])N(C(=O)[C@@]3([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(N(C(=O)[C@@]4([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(OC(=O)[C@@]1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C4([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])OC([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C3([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] INCHI for NP0003242 (Malevamide C)InChI=1S/C79H125N13O16/c1-23-25-27-35-55-50(12)79(106)108-65(48(9)10)69(96)81-52(14)71(98)90-39-30-36-57(90)73(100)88(20)63(47(7)8)78(105)86(18)61(44-107-22)76(103)85(17)60(43-54-33-28-26-29-34-54)75(102)84(16)53(15)66(93)80-51(13)70(97)87(19)62(46(5)6)67(94)83-56(42-45(3)4)72(99)91-40-32-38-59(91)77(104)92-41-31-37-58(92)74(101)89(21)64(49(11)24-2)68(95)82-55/h1,26,28-29,33-34,45-53,55-65H,24-25,27,30-32,35-44H2,2-22H3,(H,80,93)(H,81,96)(H,82,95)(H,83,94)/t49-,50-,51-,52-,53+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1 3D Structure for NP0003242 (Malevamide C) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1S,7S,10S,13S,14S,17S,20S,26S,29S,35S,38R,41S,44S,47S)-35-benzyl-10-[(2S)-butan-2-yl]-32-(methoxymethyl)-9,14,20,28,31,34,37,38,41,43-decamethyl-47-(2-methylpropyl)-13-(pent-4-yn-1-yl)-17,29,44-tris(propan-2-yl)-16-oxa-3,9,12,19,22,28,31,34,37,40,43,46,49-tridecaazatetracyclo[47.3.0.0^{3,7}.0^{22,26}]dopentacontane-2,8,11,15,18,21,27,30,33,36,39,42,45,48-tetradecone | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1S,7S,10S,13S,14S,17S,20S,26S,29S,35S,38R,41S,44S,47S)-35-benzyl-10-[(2S)-butan-2-yl]-17,29,44-triisopropyl-32-(methoxymethyl)-9,14,20,28,31,34,37,38,41,43-decamethyl-47-(2-methylpropyl)-13-(pent-4-yn-1-yl)-16-oxa-3,9,12,19,22,28,31,34,37,40,43,46,49-tridecaazatetracyclo[47.3.0.0^{3,7}.0^{22,26}]dopentacontane-2,8,11,15,18,21,27,30,33,36,39,42,45,48-tetradecone | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@H](C)[C@@H]1N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)N(C)C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)C(COC)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H](OC(=O)C(C)C(CCCC#C)NC1=O)C(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C79H125N13O16/c1-23-25-27-35-55-50(12)79(106)108-65(48(9)10)69(96)81-52(14)71(98)90-39-30-36-57(90)73(100)88(20)63(47(7)8)78(105)86(18)61(44-107-22)76(103)85(17)60(43-54-33-28-26-29-34-54)75(102)84(16)53(15)66(93)80-51(13)70(97)87(19)62(46(5)6)67(94)83-56(42-45(3)4)72(99)91-40-32-38-59(91)77(104)92-41-31-37-58(92)74(101)89(21)64(49(11)24-2)68(95)82-55/h1,26,28-29,33-34,45-53,55-65H,24-25,27,30-32,35-44H2,2-22H3,(H,80,93)(H,81,96)(H,82,95)(H,83,94)/t49-,50?,51-,52-,53+,55?,56-,57-,58-,59-,60-,61?,62-,63-,64-,65-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | AJYHEKJFCQXDSB-PDLWVTQISA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA007628 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78445515 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139585226 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
