Showing NP-Card for Mogroside VI (NP0140741)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2022-06-29 21:49:39 UTC | |||||||||||||||
| Updated at | 2022-06-29 21:49:39 UTC | |||||||||||||||
| NP-MRD ID | NP0140741 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | Mogroside VI | |||||||||||||||
| Description | Mogroside VI belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus. Mogroside VI was first documented in 2020 (PMID: 33172561). Based on a literature review very few articles have been published on Mogroside VI. | |||||||||||||||
| Structure | MOL for NP0140741 (Mogroside VI)
Mrv1652306292223492D
100109 0 0 1 0 999 V2000
4.9830 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2939 -0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1111 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6175 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4347 -1.2185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7456 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0565 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5098 -0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9814 -0.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9411 -1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6302 -2.6340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1365 -3.2854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8256 -4.0495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0084 -4.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5020 -3.5111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8129 -2.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 -3.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3739 -4.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5567 -4.5009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2458 -5.2651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4285 -5.3780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9222 -4.7266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2331 -3.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0503 -3.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7267 -3.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9095 -3.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1049 -4.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1176 -6.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7521 -5.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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8.3320 -4.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9538 -3.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4601 -3.8238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2774 -3.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7837 -4.3623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
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9.1492 -4.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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11.6010 -4.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5883 -2.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7875 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0168 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3340 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6826 0.6076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9629 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4311 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6190 -0.6539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3387 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8705 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5902 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7781 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2463 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5266 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9948 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0976 0.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4342 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1776 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9098 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4416 0.0722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2537 0.2174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7855 -0.4133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5052 -1.1892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6931 -1.3344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1613 -0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4128 -2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9446 -2.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6643 -3.5170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1961 -4.1477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9158 -4.9236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1037 -5.0688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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-3.3461 1.1386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6264 1.9145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4385 2.0597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9704 1.4290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6901 0.6531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8779 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.0872 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3228 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4850 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1 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
6 8 1 0 0 0 0
6 9 1 0 0 0 0
5 10 1 6 0 0 0
11 10 1 1 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 1 0 0 0 0
11 16 1 0 0 0 0
15 17 1 1 0 0 0
17 18 1 0 0 0 0
19 18 1 1 0 0 0
19 20 1 0 0 0 0
20 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
19 24 1 0 0 0 0
23 25 1 1 0 0 0
25 26 1 0 0 0 0
22 27 1 6 0 0 0
21 28 1 1 0 0 0
20 29 1 6 0 0 0
14 30 1 6 0 0 0
13 31 1 1 0 0 0
12 32 1 6 0 0 0
33 32 1 1 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 1 0 0 0 0
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33 38 1 0 0 0 0
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87 96 1 1 0 0 0
51 97 1 6 0 0 0
50 98 1 1 0 0 0
48 99 1 6 0 0 0
47100 1 1 0 0 0
M END
3D MOL for NP0140741 (Mogroside VI)
RDKit 3D
212221 0 0 0 0 0 0 0 0999 V2000
2.5916 3.1073 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3306 1.8357 0.5707 C 0 0 2 0 0 0 0 0 0 0 0 0
4.4243 2.2605 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3925 3.2199 0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2749 2.9043 1.2475 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1916 1.9158 1.1546 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2681 0.9116 2.0571 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2572 1.3308 3.0057 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5688 0.9629 2.6779 C 0 0 2 0 0 0 0 0 0 0 0 0
10.0971 1.7739 1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3362 1.6194 1.0991 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6641 0.5591 0.3189 C 0 0 2 0 0 0 0 0 0 0 0 0
12.6097 -0.2767 0.8342 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9263 0.0121 0.6684 C 0 0 2 0 0 0 0 0 0 0 0 0
14.4417 1.0641 1.5988 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8188 2.2773 1.4711 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3294 0.2672 -0.7704 C 0 0 1 0 0 0 0 0 0 0 0 0
15.2797 -0.6347 -1.2222 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0718 0.0691 -1.6223 C 0 0 2 0 0 0 0 0 0 0 0 0
13.3310 0.3471 -2.9488 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0326 1.0242 -1.1050 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9252 0.9873 -1.9477 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7557 -0.4796 2.7828 C 0 0 1 0 0 0 0 0 0 0 0 0
10.3414 -0.8434 4.0307 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3679 -1.1712 2.7074 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4452 -2.5032 2.5649 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6363 -0.4223 1.5698 C 0 0 1 0 0 0 0 0 0 0 0 0
6.6284 -1.2311 1.0633 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9160 -1.7917 -0.1750 C 0 0 2 0 0 0 0 0 0 0 0 0
6.0017 -1.4672 -1.1335 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3659 -1.9413 -2.3664 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5333 -1.2020 -3.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7630 0.1594 -3.3348 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0199 -3.4253 -2.4085 C 0 0 1 0 0 0 0 0 0 0 0 0
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6.0396 -4.0009 -1.0351 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7803 -4.0843 -0.4455 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9947 -3.3064 -0.0950 C 0 0 1 0 0 0 0 0 0 0 0 0
8.2930 -3.7504 -0.2431 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9248 4.1955 1.8178 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9494 4.7731 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8565 5.2475 2.0407 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4131 3.8805 3.0822 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3656 0.9334 -0.1379 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0694 -0.3767 -0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9240 -1.3615 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7207 -0.5378 -0.6201 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6659 0.3907 -1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5874 -1.1441 -0.4332 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7115 -2.5969 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1730 -2.7436 -1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0776 -2.0028 -0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8291 -1.0037 0.5420 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6322 -1.1590 1.7996 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9441 -1.8458 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3217 -1.3419 0.0647 C 0 0 2 0 0 0 0 0 0 0 0 0
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-7.7614 0.4178 0.9444 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.1015 1.1449 1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2329 0.3203 0.5789 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7946 -0.5590 1.6693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6095 3.1895 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3514 3.1722 2.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1166 4.0371 0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6893 1.3712 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8692 2.7192 -1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9542 1.3821 -0.8223 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1123 3.3993 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9433 4.2436 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6075 2.6312 2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3802 0.8483 2.7462 H 0 0 0 0 0 0 0 0 0 0 0 0
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8.4832 4.0742 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8594 4.7501 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7352 5.8923 1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0322 5.8450 2.9575 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3912 4.7098 3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1132 1.4921 -1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6521 -0.1430 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7099 -0.7588 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.5414 0.3149 -2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2430 1.3621 -1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0
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-10.6675 -3.4406 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0026 -4.5775 -2.8846 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3225 -2.9225 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.0793 -0.4504 2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8683 -1.6143 1.4583 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7631 -0.2458 2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
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89 90 1 0
56 91 1 0
91 92 1 0
91 93 1 0
53 94 1 0
94 95 1 1
94 96 1 0
96 97 1 0
96 98 1 0
98 99 1 0
99100 1 1
27 7 1 0
38 29 1 0
99 44 1 0
21 12 1 0
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78 58 1 0
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1102 1 0
1103 1 0
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10112 1 0
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20122 1 0
21123 1 1
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29130 1 6
31131 1 6
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35136 1 0
36137 1 6
37138 1 0
38139 1 1
39140 1 0
41141 1 0
41142 1 0
41143 1 0
42144 1 0
42145 1 0
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50157 1 0
50158 1 0
51159 1 0
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55163 1 0
55164 1 0
56165 1 1
58166 1 6
60167 1 1
61168 1 0
61169 1 0
63170 1 1
65171 1 1
66172 1 0
66173 1 0
67174 1 0
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69176 1 0
70177 1 1
71178 1 0
72179 1 6
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75182 1 0
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77184 1 0
78185 1 1
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95204 1 0
95205 1 0
96206 1 1
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98208 1 0
98209 1 0
100210 1 0
100211 1 0
100212 1 0
M END
3D SDF for NP0140741 (Mogroside VI)
Mrv1652306292223492D
100109 0 0 1 0 999 V2000
4.9830 -1.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2939 -0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1111 -0.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6175 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4347 -1.2185 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7456 -0.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0565 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5098 -0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9814 -0.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9411 -1.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6302 -2.6340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1365 -3.2854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.8256 -4.0495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.0084 -4.1624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5020 -3.5111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8129 -2.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6848 -3.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3739 -4.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5567 -4.5009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2458 -5.2651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4285 -5.3780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9222 -4.7266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2331 -3.9625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.0503 -3.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7267 -3.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9095 -3.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1049 -4.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1176 -6.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7521 -5.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6975 -4.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3320 -4.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9538 -3.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4601 -3.8238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2774 -3.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7837 -4.3623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.4728 -5.1265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.6556 -5.2393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.1492 -4.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3447 -6.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5275 -6.1164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9792 -5.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6010 -4.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5883 -2.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7875 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0168 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3340 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6826 0.6076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9629 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4311 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6190 -0.6539 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3387 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8705 0.7528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5902 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7781 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2463 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5266 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9948 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0976 0.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4342 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1776 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 2.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9098 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4416 0.0722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2537 0.2174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7855 -0.4133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5052 -1.1892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6931 -1.3344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1613 -0.7037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4128 -2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9446 -2.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6643 -3.5170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1961 -4.1477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9158 -4.9236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1037 -5.0688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5719 -4.4381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8522 -3.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2402 -4.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5205 -5.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8234 -5.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4477 -5.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0083 -4.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0370 -1.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5976 -0.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3461 1.1386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6264 1.9145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4385 2.0597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9704 1.4290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6901 0.6531 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.8779 0.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2219 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9416 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7825 1.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7188 2.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0946 2.5452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8069 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0872 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3228 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4850 1.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1 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
6 8 1 0 0 0 0
6 9 1 0 0 0 0
5 10 1 6 0 0 0
11 10 1 1 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 1 0 0 0 0
11 16 1 0 0 0 0
15 17 1 1 0 0 0
17 18 1 0 0 0 0
19 18 1 1 0 0 0
19 20 1 0 0 0 0
20 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
19 24 1 0 0 0 0
23 25 1 1 0 0 0
25 26 1 0 0 0 0
22 27 1 6 0 0 0
21 28 1 1 0 0 0
20 29 1 6 0 0 0
14 30 1 6 0 0 0
13 31 1 1 0 0 0
12 32 1 6 0 0 0
33 32 1 1 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 1 0 0 0 0
37 38 1 0 0 0 0
33 38 1 0 0 0 0
37 39 1 1 0 0 0
39 40 1 0 0 0 0
36 41 1 6 0 0 0
35 42 1 1 0 0 0
34 43 1 6 0 0 0
44 2 1 6 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
44 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
47 52 1 0 0 0 0
52 53 1 6 0 0 0
53 54 1 0 0 0 0
54 55 2 0 0 0 0
56 55 1 6 0 0 0
51 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
55 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
59 63 1 6 0 0 0
64 63 1 6 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
64 69 1 0 0 0 0
68 70 1 6 0 0 0
70 71 1 0 0 0 0
72 71 1 6 0 0 0
72 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
76 77 1 0 0 0 0
72 77 1 0 0 0 0
76 78 1 6 0 0 0
78 79 1 0 0 0 0
75 80 1 1 0 0 0
74 81 1 6 0 0 0
73 82 1 1 0 0 0
67 83 1 1 0 0 0
66 84 1 6 0 0 0
65 85 1 1 0 0 0
86 85 1 6 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 0 0 0 0
86 91 1 0 0 0 0
90 92 1 6 0 0 0
92 93 1 0 0 0 0
89 94 1 1 0 0 0
88 95 1 6 0 0 0
87 96 1 1 0 0 0
51 97 1 6 0 0 0
50 98 1 1 0 0 0
48 99 1 6 0 0 0
47100 1 1 0 0 0
M END
> <DATABASE_ID>
NP0140741
> <DATABASE_NAME>
NP-MRD
> <SMILES>
C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C
> <INCHI_IDENTIFIER>
InChI=1S/C66H112O34/c1-24(9-13-37(63(4,5)88)98-61-55(100-59-53(87)47(81)41(75)31(21-70)94-59)49(83)43(77)33(96-61)23-90-57-51(85)45(79)39(73)29(19-68)92-57)25-15-16-64(6)34-12-10-26-27(66(34,8)35(71)17-65(25,64)7)11-14-36(62(26,2)3)97-60-54(99-58-52(86)46(80)40(74)30(20-69)93-58)48(82)42(76)32(95-60)22-89-56-50(84)44(78)38(72)28(18-67)91-56/h10,24-25,27-61,67-88H,9,11-23H2,1-8H3/t24-,25-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,64+,65-,66+/m1/s1
> <INCHI_KEY>
LTDANPHZAHSOBN-QYTMKXBISA-N
> <FORMULA>
C66H112O34
> <MOLECULAR_WEIGHT>
1449.588
> <EXACT_MASS>
1448.703500686
$$$$
PDB for NP0140741 (Mogroside VI)HEADER PROTEIN 29-JUN-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-JUN-22 0 HETATM 1 C UNK 0 9.302 -2.907 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 9.882 -1.480 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 11.407 -1.269 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 12.353 -2.485 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 13.878 -2.275 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 14.458 -0.848 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 15.039 0.578 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 15.885 -1.428 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 13.032 -0.268 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 14.823 -3.490 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 14.243 -4.917 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 15.188 -6.133 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 14.608 -7.559 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 13.082 -7.770 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 12.137 -6.554 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 12.717 -5.127 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 10.612 -6.765 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 10.031 -8.191 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 8.506 -8.402 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 7.925 -9.828 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 6.400 -10.039 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 5.455 -8.823 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 6.035 -7.397 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 7.561 -7.186 0.000 0.00 0.00 O+0 HETATM 25 C UNK 0 5.090 -6.181 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 3.564 -6.391 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 3.929 -9.034 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 5.820 -11.465 0.000 0.00 0.00 O+0 HETATM 29 O UNK 0 8.871 -11.044 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 12.502 -9.196 0.000 0.00 0.00 O+0 HETATM 31 O UNK 0 15.553 -8.775 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 16.714 -5.922 0.000 0.00 0.00 O+0 HETATM 33 C UNK 0 17.659 -7.138 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 19.184 -6.927 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 20.130 -8.143 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 19.549 -9.569 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 18.024 -9.780 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 17.079 -8.564 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 17.443 -11.207 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 15.918 -11.417 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 20.494 -10.785 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 21.655 -7.932 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 19.765 -5.501 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 8.937 -0.264 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 9.365 1.215 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 8.090 2.079 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 6.874 1.134 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 7.398 -0.314 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 6.405 -1.492 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 4.889 -1.221 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 4.366 0.228 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 5.358 1.405 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 4.835 2.854 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 3.319 3.125 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 2.326 1.947 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 2.850 0.499 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 1.857 -0.678 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 0.341 -0.407 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -0.182 1.041 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 0.810 2.218 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -0.332 3.252 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 1.028 3.743 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 -1.698 1.312 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 -2.691 0.135 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 -4.207 0.406 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -5.200 -0.771 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -4.676 -2.220 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 -3.160 -2.491 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 -2.168 -1.314 0.000 0.00 0.00 O+0 HETATM 70 C UNK 0 -2.637 -3.939 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 -3.630 -5.117 0.000 0.00 0.00 O+0 HETATM 72 C UNK 0 -3.107 -6.565 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -4.099 -7.742 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -3.576 -9.191 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -2.060 -9.462 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -1.068 -8.284 0.000 0.00 0.00 C+0 HETATM 77 O UNK 0 -1.591 -6.836 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 0.448 -8.556 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 0.972 -10.004 0.000 0.00 0.00 O+0 HETATM 80 O UNK 0 -1.537 -10.910 0.000 0.00 0.00 O+0 HETATM 81 O UNK 0 -4.569 -10.368 0.000 0.00 0.00 O+0 HETATM 82 O UNK 0 -5.615 -7.471 0.000 0.00 0.00 O+0 HETATM 83 O UNK 0 -5.669 -3.397 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 -6.716 -0.500 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 -4.730 1.854 0.000 0.00 0.00 O+0 HETATM 86 C UNK 0 -6.246 2.125 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 -6.769 3.574 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 -8.285 3.845 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 -9.278 2.667 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 -8.755 1.219 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 -7.239 0.948 0.000 0.00 0.00 O+0 HETATM 92 C UNK 0 -9.748 0.042 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 -9.224 -1.407 0.000 0.00 0.00 O+0 HETATM 94 O UNK 0 -10.794 2.939 0.000 0.00 0.00 O+0 HETATM 95 O UNK 0 -8.809 5.293 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 -5.777 4.751 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 3.373 -0.949 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 3.896 -2.398 0.000 0.00 0.00 O+0 HETATM 99 C UNK 0 8.069 -1.700 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 6.505 2.629 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 44 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 10 CONECT 6 5 7 8 9 CONECT 7 6 CONECT 8 6 CONECT 9 6 CONECT 10 5 11 CONECT 11 10 12 16 CONECT 12 11 13 32 CONECT 13 12 14 31 CONECT 14 13 15 30 CONECT 15 14 16 17 CONECT 16 15 11 CONECT 17 15 18 CONECT 18 17 19 CONECT 19 18 20 24 CONECT 20 19 21 29 CONECT 21 20 22 28 CONECT 22 21 23 27 CONECT 23 22 24 25 CONECT 24 23 19 CONECT 25 23 26 CONECT 26 25 CONECT 27 22 CONECT 28 21 CONECT 29 20 CONECT 30 14 CONECT 31 13 CONECT 32 12 33 CONECT 33 32 34 38 CONECT 34 33 35 43 CONECT 35 34 36 42 CONECT 36 35 37 41 CONECT 37 36 38 39 CONECT 38 37 33 CONECT 39 37 40 CONECT 40 39 CONECT 41 36 CONECT 42 35 CONECT 43 34 CONECT 44 2 45 48 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 52 100 CONECT 48 47 44 49 99 CONECT 49 48 50 CONECT 50 49 51 98 CONECT 51 50 52 56 97 CONECT 52 51 47 53 CONECT 53 52 54 CONECT 54 53 55 CONECT 55 54 56 60 CONECT 56 55 51 57 CONECT 57 56 58 CONECT 58 57 59 CONECT 59 58 60 63 CONECT 60 59 55 61 62 CONECT 61 60 CONECT 62 60 CONECT 63 59 64 CONECT 64 63 65 69 CONECT 65 64 66 85 CONECT 66 65 67 84 CONECT 67 66 68 83 CONECT 68 67 69 70 CONECT 69 68 64 CONECT 70 68 71 CONECT 71 70 72 CONECT 72 71 73 77 CONECT 73 72 74 82 CONECT 74 73 75 81 CONECT 75 74 76 80 CONECT 76 75 77 78 CONECT 77 76 72 CONECT 78 76 79 CONECT 79 78 CONECT 80 75 CONECT 81 74 CONECT 82 73 CONECT 83 67 CONECT 84 66 CONECT 85 65 86 CONECT 86 85 87 91 CONECT 87 86 88 96 CONECT 88 87 89 95 CONECT 89 88 90 94 CONECT 90 89 91 92 CONECT 91 90 86 CONECT 92 90 93 CONECT 93 92 CONECT 94 89 CONECT 95 88 CONECT 96 87 CONECT 97 51 CONECT 98 50 CONECT 99 48 CONECT 100 47 MASTER 0 0 0 0 0 0 0 0 100 0 218 0 END SMILES for NP0140741 (Mogroside VI)C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C INCHI for NP0140741 (Mogroside VI)InChI=1S/C66H112O34/c1-24(9-13-37(63(4,5)88)98-61-55(100-59-53(87)47(81)41(75)31(21-70)94-59)49(83)43(77)33(96-61)23-90-57-51(85)45(79)39(73)29(19-68)92-57)25-15-16-64(6)34-12-10-26-27(66(34,8)35(71)17-65(25,64)7)11-14-36(62(26,2)3)97-60-54(99-58-52(86)46(80)40(74)30(20-69)93-58)48(82)42(76)32(95-60)22-89-56-50(84)44(78)38(72)28(18-67)91-56/h10,24-25,27-61,67-88H,9,11-23H2,1-8H3/t24-,25-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,64+,65-,66+/m1/s1 3D Structure for NP0140741 (Mogroside VI) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C66H112O34 | |||||||||||||||
| Average Mass | 1449.5880 Da | |||||||||||||||
| Monoisotopic Mass | 1448.70350 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C | |||||||||||||||
| InChI Identifier | InChI=1S/C66H112O34/c1-24(9-13-37(63(4,5)88)98-61-55(100-59-53(87)47(81)41(75)31(21-70)94-59)49(83)43(77)33(96-61)23-90-57-51(85)45(79)39(73)29(19-68)92-57)25-15-16-64(6)34-12-10-26-27(66(34,8)35(71)17-65(25,64)7)11-14-36(62(26,2)3)97-60-54(99-58-52(86)46(80)40(74)30(20-69)93-58)48(82)42(76)32(95-60)22-89-56-50(84)44(78)38(72)28(18-67)91-56/h10,24-25,27-61,67-88H,9,11-23H2,1-8H3/t24-,25-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,64+,65-,66+/m1/s1 | |||||||||||||||
| InChI Key | LTDANPHZAHSOBN-QYTMKXBISA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Predicted Spectra | ||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin | Not Available | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Description | Belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus. | |||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||||
| Class | Steroids and steroid derivatives | |||||||||||||||
| Sub Class | Steroidal glycosides | |||||||||||||||
| Direct Parent | Cucurbitacin glycosides | |||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aliphatic heteropolycyclic compounds | |||||||||||||||
| External Descriptors | Not Available | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||
| Chemspider ID | 30783357 | |||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||
| BiGG ID | Not Available | |||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||
| METLIN ID | Not Available | |||||||||||||||
| PubChem Compound | 71307458 | |||||||||||||||
| PDB ID | Not Available | |||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References |
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