Showing NP-Card for Swinholide I (NP0078108)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-04-28 23:14:24 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2022-04-28 23:14:24 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0078108 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Swinholide I | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Swinholide I is found in Theonella swinhoei. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0078108 (Swinholide I)
Mrv1652304292201142D
99103 0 0 1 0 999 V2000
14.0227 0.4412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.8207 0.2320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.5762 -0.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
16.2705 -0.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8866 -1.0938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.4092 -1.7322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.8255 -2.4444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.1253 -3.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3012 -4.0190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
18.6988 -4.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.2715 -5.4477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.0578 -6.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7263 -7.2171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
17.2807 -7.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7320 -8.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0936 -9.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3814 -9.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6128 -9.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8068 -9.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9189 -10.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9831 -9.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1622 -9.9079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3642 -9.6987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6087 -9.3672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9144 -8.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2983 -8.3729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7757 -7.7346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3594 -7.0223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0596 -6.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8837 -5.4477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3109 -4.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9134 -4.0190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1271 -3.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4586 -2.2496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9042 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4529 -0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0913 -0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8035 -0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5721 0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3781 0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2660 1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2018 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6203 0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7315 -1.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0886 -4.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6613 -4.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0589 -5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6166 -7.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9342 -6.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0983 -8.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7030 -8.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2190 -10.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0930 -10.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0162 -10.7199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.2400 -10.9995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.6098 -10.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0941 -11.8115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.7243 -12.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3179 -12.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1719 -12.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 -13.1826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7655 -12.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9893 -12.9298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8434 -13.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4736 -14.2742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2498 -13.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3276 -15.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3591 -12.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5829 -12.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6464 -11.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5646 -9.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4534 -7.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.4467 -5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0491 -4.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.4764 -4.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5683 -2.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2507 -2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0866 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.4819 -0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9659 0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0919 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1687 1.2532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9448 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5384 1.7856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.6844 2.5976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.0542 3.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2002 3.9420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.5700 4.4744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.7938 4.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1636 4.7272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3095 5.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0857 5.8188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7159 5.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2317 6.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6015 7.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3874 4.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9764 4.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4606 2.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7623 1.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 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
9 10 1 1 0 0 0
11 10 1 6 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 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
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 6 0 0 0
32 31 1 1 0 0 0
32 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
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
1 42 1 0 0 0 0
37 43 1 0 0 0 0
34 44 1 1 0 0 0
32 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
30 47 1 0 0 0 0
28 48 1 1 0 0 0
48 49 1 0 0 0 0
27 50 1 6 0 0 0
26 51 1 6 0 0 0
24 52 1 6 0 0 0
23 53 1 1 0 0 0
22 54 1 6 0 0 0
54 55 1 0 0 0 0
55 56 1 6 0 0 0
55 57 1 0 0 0 0
57 58 1 1 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
61 60 1 6 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
61 66 1 0 0 0 0
65 67 1 1 0 0 0
63 68 1 1 0 0 0
68 69 1 0 0 0 0
54 70 1 1 0 0 0
16 71 1 0 0 0 0
13 72 1 1 0 0 0
11 73 1 0 0 0 0
73 74 2 0 0 0 0
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7 76 1 1 0 0 0
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6 78 1 6 0 0 0
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88 89 1 0 0 0 0
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90 91 1 0 0 0 0
91 92 1 0 0 0 0
92 93 1 0 0 0 0
88 93 1 0 0 0 0
92 94 1 1 0 0 0
94 95 1 0 0 0 0
90 96 1 1 0 0 0
87 97 1 6 0 0 0
85 98 1 6 0 0 0
84 99 1 1 0 0 0
M END
3D MOL for NP0078108 (Swinholide I)
RDKit 3D
231235 0 0 0 0 0 0 0 0999 V2000
-5.6391 6.7766 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1892 6.5923 -0.4694 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7551 5.2999 -0.2395 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2748 5.2207 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7822 6.2247 1.0508 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9520 7.6048 0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8937 8.5438 0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6576 8.0572 0.9953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5077 6.6056 0.7286 C 0 0 1 0 0 0 0 0 0 0 0 0
0.8436 6.1763 1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7493 5.6987 0.1382 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5600 6.7455 -0.3262 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6732 4.6027 0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0877 4.8443 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6987 4.1602 -0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8452 4.8217 -1.4577 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3192 2.8343 -1.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0072 1.8273 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8146 1.3666 0.7608 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1671 1.2640 1.8729 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1703 1.0589 0.6684 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7561 -0.0211 0.0090 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0839 0.3795 -0.6773 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7847 1.2650 -1.8499 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9616 1.0835 0.3129 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1792 0.1600 1.3633 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3381 1.3615 -0.2530 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0585 2.0952 0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1027 0.1079 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4620 0.2326 -1.1148 C 0 0 1 0 0 0 0 0 0 0 0 0
12.5084 0.9102 -2.3226 O 0 0 0 0 0 0 0 0 0 0 0 0
13.6177 0.4240 -0.2205 C 0 0 1 0 0 0 0 0 0 0 0 0
14.8603 -0.3508 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0186 0.2003 0.1218 C 0 0 2 0 0 0 0 0 0 0 0 0
15.6031 0.2426 1.4321 O 0 0 0 0 0 0 0 0 0 0 0 0
16.3730 -0.4839 2.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
16.2888 1.5856 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9503 2.2756 -0.6302 C 0 0 2 0 0 0 0 0 0 0 0 0
15.0952 3.7055 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9426 1.7026 0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8436 -0.7853 -0.8886 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5479 -1.5502 -1.9734 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9335 -1.6924 -0.0517 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2879 -1.5842 1.3096 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9108 -3.1057 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2104 -3.9446 0.5479 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9605 -3.2417 1.7217 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9591 -5.2105 0.8769 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3867 -5.2196 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2009 -6.4033 0.3271 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0064 -7.4429 -0.0639 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9216 -7.7132 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1389 -6.7784 1.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7768 -6.8709 0.7371 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2765 -8.2975 0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0755 -8.3339 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3275 -7.5219 -0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5642 -6.4247 -1.1652 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0721 -5.0610 -0.9425 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5040 -5.0359 -1.3467 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2612 -5.3576 -0.1955 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9743 -3.6534 -1.8246 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4693 -3.6155 -1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1708 -3.4042 -0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3674 -4.2753 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8646 -2.3728 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6447 -1.0902 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4925 -0.1668 -0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9901 0.4392 -1.6476 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8051 0.1619 -0.3366 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6803 -0.7378 0.3470 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.8584 -0.9345 -0.5733 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3832 -1.3870 -1.9584 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8899 -1.9106 -0.0776 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.2421 -1.7958 1.2486 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0652 -1.9627 -1.0228 C 0 0 1 0 0 0 0 0 0 0 0 0
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-12.7543 0.4622 0.3161 C 0 0 1 0 0 0 0 0 0 0 0 0
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-15.0847 0.8500 -0.5462 C 0 0 2 0 0 0 0 0 0 0 0 0
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-16.1383 2.7459 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.6122 0.2154 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.5038 -0.5527 1.3694 C 0 0 2 0 0 0 0 0 0 0 0 0
-14.9178 -1.1710 2.6758 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.4459 0.3511 1.5279 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1556 -0.0818 1.6327 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.0038 -1.0653 2.7537 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3744 1.1936 1.9103 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.7412 1.5748 3.2229 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7577 2.3411 1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4916 3.0795 0.6596 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3779 2.6194 1.3429 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5947 4.5635 0.7818 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0186 5.0634 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8097 -6.4761 -0.6018 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4883 5.8513 1.3568 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7870 6.5552 -2.4689 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9492 7.8108 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3989 6.0107 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9013 4.7414 -1.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7664 5.4774 -0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0040 4.1954 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3588 6.1421 2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0649 7.6413 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9175 8.0197 0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1149 9.5699 1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2111 8.6680 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5012 6.4527 -0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3551 7.0058 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7277 5.3570 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1206 5.3914 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5569 7.5105 0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 3.6568 0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5777 4.4476 1.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6184 5.6167 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7806 4.3831 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8665 5.9178 -1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7679 4.6890 -2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2794 2.6306 -2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0635 1.2792 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1082 -0.7075 0.8275 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5959 -0.5364 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2453 0.9387 -2.7968 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6898 1.3489 -2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1823 2.2880 -1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5007 1.9818 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2344 -0.7680 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3331 2.0387 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6521 1.3738 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2960 2.5438 1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6483 2.9328 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4811 -0.5851 -1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2284 -0.5056 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
12.6541 -0.8855 -1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9719 0.4810 -3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3692 -0.1098 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0067 -0.2082 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7502 -1.4079 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9171 -0.4286 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
15.8979 -0.3451 3.3274 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3736 0.0000 2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4174 -1.5599 2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
16.9377 2.1831 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7845 1.4418 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0
14.7099 2.2762 -1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3176 3.6345 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1492 4.2774 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9605 4.1763 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 -0.0715 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7174 -0.8668 -2.8328 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8269 -2.3068 -2.3731 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4371 -2.0986 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9002 -1.2972 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0136 -2.2409 1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2752 -3.1558 -1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.1825 -4.2284 0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.8751 -6.0940 0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.8685 -7.9772 -1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.3786 -7.7335 1.8441 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1129 -6.0281 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0798 -6.2334 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 -8.5222 1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.6728 -6.5192 -2.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5049 -4.3271 -1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0599 -4.8663 0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0
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-8.3954 -2.9657 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5135 -2.6648 1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
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-12.1195 1.3702 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5708 -0.2936 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.3078 1.4687 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.7161 0.5553 -1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.2481 3.8364 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.1132 2.2615 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6609 2.5560 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.3860 -0.5655 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.1335 0.9023 1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.2592 -1.3962 0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.4542 -0.6413 3.5435 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.0331 -1.2313 2.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.5713 -2.2338 2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2075 0.2021 1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8451 -1.0972 3.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8177 -2.1158 2.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1035 -0.8347 3.3903 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2946 1.0330 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7051 1.8102 3.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5148 2.9982 1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2478 1.9263 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2853 2.8634 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1832 3.1564 2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1876 4.8476 1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4159 5.1374 1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9863 6.1023 0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6760 4.4959 0.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
84 83 1 0
83 82 1 0
82 85 1 0
85 86 1 0
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74 75 1 0
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72 73 1 0
72 71 1 0
71 70 1 0
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68 67 1 0
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66 64 1 0
64 65 1 0
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63 62 1 0
62 60 1 0
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54 55 1 0
55 56 1 0
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54 53 1 0
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50 51 1 0
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46 47 1 0
46 45 1 0
45 43 1 0
43 44 1 0
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19 18 1 0
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15 16 1 0
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11 12 1 0
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10 9 1 0
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99 5 1 0
5 6 1 0
6 7 1 0
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5 4 1 0
4 3 1 0
3 2 1 0
2 1 1 0
3 96 1 0
96 97 1 0
96 94 1 0
94 95 1 0
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22 23 1 0
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25 27 1 0
27 28 1 0
27 29 1 0
29 30 1 0
30 31 1 0
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33 34 1 0
34 37 1 0
37 38 1 0
38 39 1 0
38 40 1 0
34 35 1 0
35 36 1 0
80 81 1 0
81 82 1 0
89 71 1 0
40 32 1 0
57 58 1 0
8 9 1 0
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84210 1 0
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87216 1 0
87217 1 0
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78201 1 0
78202 1 0
76197 1 6
77198 1 0
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73192 1 0
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71190 1 1
67189 1 0
66188 1 0
65185 1 0
65186 1 0
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63184 1 0
62182 1 0
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60180 1 6
61181 1 0
59178 1 0
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54172 1 1
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56175 1 0
57176 1 0
53170 1 0
53171 1 0
50166 1 6
52167 1 0
52168 1 0
52169 1 0
48162 1 1
49163 1 0
49164 1 0
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46160 1 6
47161 1 0
45158 1 0
45159 1 0
43156 1 1
44157 1 0
41152 1 6
42153 1 0
42154 1 0
42155 1 0
22124 1 1
18123 1 0
17122 1 0
16119 1 0
16120 1 0
16121 1 0
14118 1 0
13116 1 0
13117 1 0
11114 1 6
12115 1 0
10112 1 0
10113 1 0
9111 1 6
5106 1 1
6107 1 0
6108 1 0
7109 1 0
8110 1 0
4104 1 0
4105 1 0
3103 1 6
1100 1 0
1101 1 0
1102 1 0
96228 1 1
97229 1 0
97230 1 0
97231 1 0
94226 1 6
95227 1 0
93224 1 0
93225 1 0
91222 1 1
92223 1 0
89218 1 6
90219 1 0
90220 1 0
90221 1 0
23125 1 6
24126 1 0
24127 1 0
24128 1 0
25129 1 1
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28132 1 0
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29135 1 0
29136 1 0
30137 1 6
31138 1 0
32139 1 1
33140 1 0
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38148 1 6
39149 1 0
39150 1 0
39151 1 0
36143 1 0
36144 1 0
36145 1 0
81206 1 0
81207 1 0
M END
3D SDF for NP0078108 (Swinholide I)
Mrv1652304292201142D
99103 0 0 1 0 999 V2000
14.0227 0.4412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.8207 0.2320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.5762 -0.0995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
16.2705 -0.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8866 -1.0938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.4092 -1.7322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.8255 -2.4444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.1253 -3.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3012 -4.0190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
18.6988 -4.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.2715 -5.4477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.0578 -6.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7263 -7.2171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
17.2807 -7.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7320 -8.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0936 -9.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3814 -9.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6128 -9.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8068 -9.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9189 -10.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.9831 -9.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1622 -9.9079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3642 -9.6987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.6087 -9.3672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9144 -8.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2983 -8.3729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7757 -7.7346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3594 -7.0223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0596 -6.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8837 -5.4477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3109 -4.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9134 -4.0190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1271 -3.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4586 -2.2496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.9042 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4529 -0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0913 -0.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8035 -0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5721 0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3781 0.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2660 1.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2018 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6203 0.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7315 -1.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0886 -4.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6613 -4.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0589 -5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6166 -7.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9342 -6.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0983 -8.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7030 -8.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2190 -10.0943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0930 -10.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0162 -10.7199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.2400 -10.9995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.6098 -10.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0941 -11.8115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.7243 -12.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3179 -12.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1719 -12.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3957 -13.1826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.7655 -12.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9893 -12.9298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8434 -13.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4736 -14.2742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2498 -13.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3276 -15.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3591 -12.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5829 -12.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6464 -11.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5646 -9.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4534 -7.6068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.4467 -5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0491 -4.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.4764 -4.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.5683 -2.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2507 -2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0866 -1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.4819 -0.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9659 0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.0919 1.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1687 1.2532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9448 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5384 1.7856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.6844 2.5976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
13.0542 3.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2002 3.9420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.5700 4.4744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.7938 4.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1636 4.7272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.3095 5.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0857 5.8188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.7159 5.2864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2317 6.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6015 7.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3874 4.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9764 4.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4606 2.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7623 1.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 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
9 10 1 1 0 0 0
11 10 1 6 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 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
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 6 0 0 0
32 31 1 1 0 0 0
32 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
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
1 42 1 0 0 0 0
37 43 1 0 0 0 0
34 44 1 1 0 0 0
32 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
30 47 1 0 0 0 0
28 48 1 1 0 0 0
48 49 1 0 0 0 0
27 50 1 6 0 0 0
26 51 1 6 0 0 0
24 52 1 6 0 0 0
23 53 1 1 0 0 0
22 54 1 6 0 0 0
54 55 1 0 0 0 0
55 56 1 6 0 0 0
55 57 1 0 0 0 0
57 58 1 1 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
61 60 1 6 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
61 66 1 0 0 0 0
65 67 1 1 0 0 0
63 68 1 1 0 0 0
68 69 1 0 0 0 0
54 70 1 1 0 0 0
16 71 1 0 0 0 0
13 72 1 1 0 0 0
11 73 1 0 0 0 0
73 74 2 0 0 0 0
74 75 1 0 0 0 0
9 75 1 0 0 0 0
7 76 1 1 0 0 0
76 77 1 0 0 0 0
6 78 1 6 0 0 0
5 79 1 6 0 0 0
3 80 1 6 0 0 0
2 81 1 1 0 0 0
1 82 1 6 0 0 0
82 83 1 6 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
88 87 1 6 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
88 93 1 0 0 0 0
92 94 1 1 0 0 0
94 95 1 0 0 0 0
90 96 1 1 0 0 0
87 97 1 6 0 0 0
85 98 1 6 0 0 0
84 99 1 1 0 0 0
M END
> <DATABASE_ID>
NP0078108
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)C=CC(C)=CC[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)C=CC(C)=CC[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](O)[C@H]2C[C@@H](C[C@H](C)O2)OC)C1
> <INCHI_IDENTIFIER>
InChI=1S/C78H132O21/c1-44-23-28-56(79)36-58-20-18-22-61(97-58)40-71(93-16)51(8)66(82)43-68(84)53(10)78(55(12)76(89)47(4)33-69(85)72-41-64(91-14)35-49(6)95-72)99-74(87)32-26-45(2)24-29-57(80)37-59-19-17-21-60(96-59)39-70(92-15)50(7)65(81)42-67(83)52(9)77(98-73(86)31-25-44)54(11)75(88)46(3)27-30-62-38-63(90-13)34-48(5)94-62/h17-20,23-26,31-32,46-72,75-85,88-89H,21-22,27-30,33-43H2,1-16H3/b31-25-,32-26-,44-23-,45-24-/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69+,70-,71-,72+,75-,76-,77-,78-/m0/s1
> <INCHI_KEY>
XUQRQRKUGBIVEH-VZFAVUCFSA-N
> <FORMULA>
C78H132O21
> <MOLECULAR_WEIGHT>
1405.893
> <EXACT_MASS>
1404.92611127
> <JCHEM_ACCEPTOR_COUNT>
19
> <JCHEM_ATOM_COUNT>
231
> <JCHEM_AVERAGE_POLARIZABILITY>
160.12454716531585
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
9
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1R,3S,5E,7E,11S,12S,13R,15S,16S,17S,19S,23R,25S,27E,29E,33S,34S,35R,37S,38S,39S,41S)-11-[(2S,3S,4S,6R)-3,6-dihydroxy-6-[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-3,13,15,25,35,37-hexahydroxy-33-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1^{19,23}]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione
> <ALOGPS_LOGP>
4.36
> <JCHEM_LOGP>
5.803354123000004
> <ALOGPS_LOGS>
-5.60
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
14.129649063489293
> <JCHEM_PKA_STRONGEST_ACIDIC>
13.732745959711924
> <JCHEM_PKA_STRONGEST_BASIC>
-2.750413152368358
> <JCHEM_POLAR_SURFACE_AREA>
308.51
> <JCHEM_REFRACTIVITY>
387.27669999999983
> <JCHEM_ROTATABLE_BOND_COUNT>
16
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
3.52e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(1R,3S,5E,7E,11S,12S,13R,15S,16S,17S,19S,23R,25S,27E,29E,33S,34S,35R,37S,38S,39S,41S)-11-[(2S,3S,4S,6R)-3,6-dihydroxy-6-[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-3,13,15,25,35,37-hexahydroxy-33-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1^{19,23}]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0078108 (Swinholide I)HEADER PROTEIN 29-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-APR-22 0 HETATM 1 C UNK 0 26.176 0.824 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 27.665 0.433 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 29.076 -0.186 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 30.372 -1.018 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 31.522 -2.042 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 32.497 -3.233 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 33.274 -4.563 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 33.834 -5.998 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 34.162 -7.502 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 34.904 -8.852 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 34.107 -10.169 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 33.708 -12.062 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 33.089 -13.472 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 32.257 -14.768 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 31.233 -15.918 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 30.041 -16.894 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 28.712 -17.671 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 27.277 -18.230 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 25.773 -18.559 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 25.982 -20.084 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 24.235 -18.648 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 22.703 -18.495 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 21.213 -18.104 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 19.803 -17.485 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 18.507 -16.654 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 17.357 -15.629 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 16.381 -14.438 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 15.604 -13.108 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 15.045 -11.674 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 14.716 -10.169 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 15.514 -8.852 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 14.772 -7.502 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 15.171 -5.610 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 15.789 -4.199 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 16.621 -2.903 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 17.645 -1.753 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 18.837 -0.778 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 20.167 -0.001 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 21.601 0.559 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 23.106 0.887 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 22.897 2.413 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 24.643 0.976 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 17.958 0.487 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 14.432 -3.472 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 13.232 -7.470 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 12.434 -8.788 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 13.177 -10.137 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 14.218 -13.779 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 12.944 -12.913 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 15.117 -15.317 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 16.246 -16.695 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 19.075 -18.843 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 20.707 -19.559 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 22.430 -20.011 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 20.981 -20.532 0.000 0.00 0.00 C+0 HETATM 56 O UNK 0 19.805 -19.539 0.000 0.00 0.00 O+0 HETATM 57 C UNK 0 20.709 -22.048 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 21.885 -23.042 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 19.260 -22.570 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 18.988 -24.086 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 17.539 -24.608 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 16.362 -23.614 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 14.913 -24.136 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 14.641 -25.651 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 15.817 -26.645 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 17.266 -26.123 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 15.545 -28.161 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 13.737 -23.142 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 12.288 -23.664 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 23.607 -21.004 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 30.921 -18.158 0.000 0.00 0.00 C+0 HETATM 72 O UNK 0 34.446 -14.199 0.000 0.00 0.00 O+0 HETATM 73 C UNK 0 32.567 -10.137 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 31.825 -8.788 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 32.623 -7.470 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 34.661 -3.892 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 35.935 -4.758 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 33.762 -2.354 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 32.633 -0.976 0.000 0.00 0.00 O+0 HETATM 80 O UNK 0 29.803 1.172 0.000 0.00 0.00 O+0 HETATM 81 C UNK 0 28.172 1.887 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 26.448 2.339 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 27.897 2.861 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 25.272 3.333 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 25.544 4.849 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 24.368 5.843 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 24.640 7.358 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 23.464 8.352 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 22.015 7.830 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 20.839 8.824 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 21.111 10.340 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 22.560 10.862 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 23.736 9.868 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 22.833 12.377 0.000 0.00 0.00 O+0 HETATM 95 C UNK 0 21.656 13.371 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 19.390 8.302 0.000 0.00 0.00 C+0 HETATM 97 O UNK 0 26.089 7.880 0.000 0.00 0.00 O+0 HETATM 98 C UNK 0 26.993 5.371 0.000 0.00 0.00 C+0 HETATM 99 O UNK 0 23.823 2.811 0.000 0.00 0.00 O+0 CONECT 1 2 42 82 CONECT 2 1 3 81 CONECT 3 2 4 80 CONECT 4 3 5 CONECT 5 4 6 79 CONECT 6 5 7 78 CONECT 7 6 8 76 CONECT 8 7 9 CONECT 9 8 10 75 CONECT 10 9 11 CONECT 11 10 12 73 CONECT 12 11 13 CONECT 13 12 14 72 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 71 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 54 CONECT 23 22 24 53 CONECT 24 23 25 52 CONECT 25 24 26 CONECT 26 25 27 51 CONECT 27 26 28 50 CONECT 28 27 29 48 CONECT 29 28 30 CONECT 30 29 31 47 CONECT 31 30 32 CONECT 32 31 33 45 CONECT 33 32 34 CONECT 34 33 35 44 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 43 CONECT 38 37 39 CONECT 39 38 40 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 1 CONECT 43 37 CONECT 44 34 CONECT 45 32 46 CONECT 46 45 47 CONECT 47 46 30 CONECT 48 28 49 CONECT 49 48 CONECT 50 27 CONECT 51 26 CONECT 52 24 CONECT 53 23 CONECT 54 22 55 70 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 59 CONECT 58 57 CONECT 59 57 60 CONECT 60 59 61 CONECT 61 60 62 66 CONECT 62 61 63 CONECT 63 62 64 68 CONECT 64 63 65 CONECT 65 64 66 67 CONECT 66 65 61 CONECT 67 65 CONECT 68 63 69 CONECT 69 68 CONECT 70 54 CONECT 71 16 CONECT 72 13 CONECT 73 11 74 CONECT 74 73 75 CONECT 75 74 9 CONECT 76 7 77 CONECT 77 76 CONECT 78 6 CONECT 79 5 CONECT 80 3 CONECT 81 2 CONECT 82 1 83 84 CONECT 83 82 CONECT 84 82 85 99 CONECT 85 84 86 98 CONECT 86 85 87 CONECT 87 86 88 97 CONECT 88 87 89 93 CONECT 89 88 90 CONECT 90 89 91 96 CONECT 91 90 92 CONECT 92 91 93 94 CONECT 93 92 88 CONECT 94 92 95 CONECT 95 94 CONECT 96 90 CONECT 97 87 CONECT 98 85 CONECT 99 84 MASTER 0 0 0 0 0 0 0 0 99 0 206 0 END SMILES for NP0078108 (Swinholide I)CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)C=CC(C)=CC[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)C=CC(C)=CC[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](O)[C@H]2C[C@@H](C[C@H](C)O2)OC)C1 INCHI for NP0078108 (Swinholide I)InChI=1S/C78H132O21/c1-44-23-28-56(79)36-58-20-18-22-61(97-58)40-71(93-16)51(8)66(82)43-68(84)53(10)78(55(12)76(89)47(4)33-69(85)72-41-64(91-14)35-49(6)95-72)99-74(87)32-26-45(2)24-29-57(80)37-59-19-17-21-60(96-59)39-70(92-15)50(7)65(81)42-67(83)52(9)77(98-73(86)31-25-44)54(11)75(88)46(3)27-30-62-38-63(90-13)34-48(5)94-62/h17-20,23-26,31-32,46-72,75-85,88-89H,21-22,27-30,33-43H2,1-16H3/b31-25-,32-26-,44-23-,45-24-/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69+,70-,71-,72+,75-,76-,77-,78-/m0/s1 3D Structure for NP0078108 (Swinholide I) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C78H132O21 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1405.8930 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1404.92611 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1R,3S,5E,7E,11S,12S,13R,15S,16S,17S,19S,23R,25S,27E,29E,33S,34S,35R,37S,38S,39S,41S)-11-[(2S,3S,4S,6R)-3,6-dihydroxy-6-[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-3,13,15,25,35,37-hexahydroxy-33-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1^{19,23}]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1R,3S,5E,7E,11S,12S,13R,15S,16S,17S,19S,23R,25S,27E,29E,33S,34S,35R,37S,38S,39S,41S)-11-[(2S,3S,4S,6R)-3,6-dihydroxy-6-[(2R,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-3,13,15,25,35,37-hexahydroxy-33-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-17,39-dimethoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1^{19,23}]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)C=CC(C)=CC[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](OC(=O)C=CC(C)=CC[C@H](O)C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H]2C)[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](O)[C@H]2C[C@@H](C[C@H](C)O2)OC)C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C78H132O21/c1-44-23-28-56(79)36-58-20-18-22-61(97-58)40-71(93-16)51(8)66(82)43-68(84)53(10)78(55(12)76(89)47(4)33-69(85)72-41-64(91-14)35-49(6)95-72)99-74(87)32-26-45(2)24-29-57(80)37-59-19-17-21-60(96-59)39-70(92-15)50(7)65(81)42-67(83)52(9)77(98-73(86)31-25-44)54(11)75(88)46(3)27-30-62-38-63(90-13)34-48(5)94-62/h17-20,23-26,31-32,46-72,75-85,88-89H,21-22,27-30,33-43H2,1-16H3/b31-25-,32-26-,44-23-,45-24-/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65-,66-,67+,68+,69+,70-,71-,72+,75-,76-,77-,78-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | XUQRQRKUGBIVEH-VZFAVUCFSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||