Showing metabocard for (3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside (HMDB0035485)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 5.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Expected but not Quantified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2012-09-11 20:28:57 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2022-03-07 02:54:31 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0035485 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers |
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| Metabolite Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | (3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | (3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside is found in onion-family vegetables. (3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside is a constituent of Allium ampeloprasum (great-head garlic) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside)
Mrv0541 05061308302D
86 95 0 0 0 0 999 V2000
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M END
3D MOL for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside)HMDB0035485
RDKit 3D
(3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylo...
182191 0 0 0 0 0 0 0 0999 V2000
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5.2082 -0.6398 -2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4213 1.0538 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5022 -1.0860 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2043 0.7798 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7016 1.9949 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1154 1.2420 -2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4890 2.8511 -0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6028 -0.7168 -0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4892 -1.1086 -0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8243 0.5602 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1027 1.2864 0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6833 1.7468 0.6361 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1921 -0.2523 -1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7825 -2.1258 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9751 -1.9473 0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8401 -2.6922 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4096 -0.8800 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2337 -0.9404 0.5621 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7073 -2.5492 -2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0571 -3.8114 -1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7720 -4.2348 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2427 -3.6033 1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5223 -1.6316 0.4078 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5366 -2.1012 -0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1533 -0.1964 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5197 0.3641 -3.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2844 2.2089 -4.6333 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.5321 3.5140 -4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.7809 2.1530 -5.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4735 -0.2383 -5.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1852 0.7381 -4.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9893 2.3510 -2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.0941 0.4295 -1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.1252 -1.5483 -2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1153 1.4979 -0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3364 2.8022 0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5940 0.6447 3.0967 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9588 1.8094 4.4634 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1827 3.1114 4.8859 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8699 0.3618 5.2785 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7692 1.0797 3.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9757 3.1116 4.9588 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4200 4.0609 3.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4429 2.9425 1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9580 2.5032 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4027 4.8085 1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8226 2.0715 0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5161 -0.0021 2.5937 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1353 1.7312 2.3943 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6100 -0.1077 3.4632 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9326 -1.2157 2.5144 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2113 0.3780 2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5828 -1.2158 2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -1.8025 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7042 1.9914 1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9667 2.1134 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6831 1.1514 2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8571 0.6667 1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9354 -2.1758 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1563 -1.2626 2.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4631 -2.6367 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3854 -2.7994 1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6138 -0.0158 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9695 -1.3340 1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1219 0.2061 1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1185 -2.3941 -1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4355 -1.7234 0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5621 -4.2255 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9666 -4.0677 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5198 -3.8966 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
12 15 1 0
15 16 1 0
15 17 1 0
17 18 1 0
17 19 1 0
19 20 1 0
3 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
27 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
35 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
42 45 1 0
45 46 1 0
45 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
52 54 1 0
54 55 1 0
54 56 1 0
56 57 1 0
47 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
63 64 1 0
62 65 1 0
65 66 1 0
65 67 1 0
67 68 1 0
67 69 1 0
69 70 1 0
38 71 1 0
71 72 1 0
71 73 1 0
73 74 1 0
31 75 1 0
75 76 1 0
76 77 1 0
77 78 1 0
77 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
82 83 1 0
82 84 1 0
84 85 1 0
85 86 1 0
85 3 1 0
19 10 1 0
84 22 1 0
82 24 1 0
79 25 1 0
77 29 1 0
73 33 1 0
58 40 1 0
69 60 1 0
56 49 1 0
1 87 1 0
1 88 1 0
1 89 1 0
4 90 1 0
4 91 1 0
5 92 1 0
5 93 1 0
6 94 1 0
7 95 1 0
7 96 1 0
7 97 1 0
8 98 1 0
8 99 1 0
10100 1 0
12101 1 0
13102 1 0
13103 1 0
14104 1 0
15105 1 0
16106 1 0
17107 1 0
18108 1 0
19109 1 0
20110 1 0
22111 1 0
23112 1 0
23113 1 0
24114 1 0
25115 1 0
26116 1 0
26117 1 0
27118 1 0
28119 1 0
29120 1 0
30121 1 0
30122 1 0
31123 1 0
33124 1 0
35125 1 0
36126 1 0
36127 1 0
37128 1 0
38129 1 0
40130 1 0
42131 1 0
43132 1 0
43133 1 0
44134 1 0
45135 1 0
46136 1 0
47137 1 0
49138 1 0
51139 1 0
51140 1 0
52141 1 0
53142 1 0
54143 1 0
55144 1 0
56145 1 0
57146 1 0
58147 1 0
60148 1 0
62149 1 0
63150 1 0
63151 1 0
64152 1 0
65153 1 0
66154 1 0
67155 1 0
68156 1 0
69157 1 0
70158 1 0
71159 1 0
72160 1 0
73161 1 0
74162 1 0
75163 1 0
75164 1 0
76165 1 0
76166 1 0
78167 1 0
78168 1 0
78169 1 0
79170 1 0
80171 1 0
80172 1 0
81173 1 0
81174 1 0
83175 1 0
83176 1 0
83177 1 0
84178 1 0
85179 1 0
86180 1 0
86181 1 0
86182 1 0
M END
3D SDF for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside)
Mrv0541 05061308302D
86 95 0 0 0 0 999 V2000
-1.9294 -1.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7555 -4.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4988 -3.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9617 -4.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0795 -4.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2080 -3.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1388 -3.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6788 -4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3188 -3.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8589 -4.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4959 -2.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9814 -2.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8528 -1.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0853 -2.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7687 -5.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8395 -8.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5474 -3.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6048 -5.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6369 -3.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9907 -7.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9248 -2.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8371 -3.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4701 -2.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5215 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0102 -3.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7015 -2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1614 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6728 -1.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3220 -6.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3732 -2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7733 -4.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0195 -8.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2161 -4.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9361 -4.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5492 -3.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8334 -5.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4901 -4.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6882 -8.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7047 -5.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4948 -3.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8682 -8.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0874 -4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0134 -5.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7826 -2.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3795 -8.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5987 -3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7561 -4.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3734 -6.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5534 -6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0659 -3.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6821 -6.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7788 -3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7108 -7.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0648 -5.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8301 -3.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3702 -3.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2209 -3.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4808 -5.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3281 -8.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3673 -3.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0935 -6.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0041 -0.9798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.1420 -6.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.1647 -4.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2023 -4.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1768 -9.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5247 -5.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2116 -2.8383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5369 -9.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9074 -4.0307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0087 -5.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7873 -2.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5595 -8.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9300 -2.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2603 -3.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3537 -2.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1708 -7.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2901 -2.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0612 -4.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5308 -7.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3961 -4.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4474 -4.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2448 -5.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8621 -6.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2221 -6.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5522 -2.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 7 1 0 0 0 0
10 8 1 0 0 0 0
11 6 1 0 0 0 0
21 1 1 0 0 0 0
21 6 1 0 0 0 0
21 19 1 0 0 0 0
22 2 1 0 0 0 0
23 7 1 0 0 0 0
23 12 1 0 0 0 0
24 13 1 0 0 0 0
25 8 1 0 0 0 0
25 24 1 0 0 0 0
26 14 1 0 0 0 0
26 24 1 0 0 0 0
27 12 1 0 0 0 0
28 13 1 0 0 0 0
28 27 1 0 0 0 0
29 20 1 0 0 0 0
30 14 1 0 0 0 0
31 15 1 0 0 0 0
32 16 1 0 0 0 0
33 17 1 0 0 0 0
34 18 1 0 0 0 0
35 22 1 0 0 0 0
35 30 1 0 0 0 0
36 29 1 0 0 0 0
37 31 1 0 0 0 0
38 32 1 0 0 0 0
39 33 1 0 0 0 0
40 37 1 0 0 0 0
41 38 1 0 0 0 0
43 36 1 0 0 0 0
44 40 1 0 0 0 0
45 41 1 0 0 0 0
46 42 1 0 0 0 0
47 34 1 0 0 0 0
47 42 1 0 0 0 0
48 39 1 0 0 0 0
49 48 1 0 0 0 0
50 44 1 0 0 0 0
51 43 1 0 0 0 0
52 46 1 0 0 0 0
53 45 1 0 0 0 0
54 49 1 0 0 0 0
55 3 1 0 0 0 0
55 9 1 0 0 0 0
55 25 1 0 0 0 0
55 27 1 0 0 0 0
56 4 1 0 0 0 0
56 10 1 0 0 0 0
56 26 1 0 0 0 0
56 35 1 0 0 0 0
57 11 1 0 0 0 0
57 22 1 0 0 0 0
58 15 1 0 0 0 0
59 16 1 0 0 0 0
60 17 1 0 0 0 0
61 18 1 0 0 0 0
62 28 1 0 0 0 0
63 29 1 0 0 0 0
64 36 1 0 0 0 0
65 37 1 0 0 0 0
66 38 1 0 0 0 0
67 39 1 0 0 0 0
68 40 1 0 0 0 0
69 41 1 0 0 0 0
70 42 1 0 0 0 0
71 43 1 0 0 0 0
72 44 1 0 0 0 0
73 45 1 0 0 0 0
74 46 1 0 0 0 0
75 5 1 0 0 0 0
75 57 1 0 0 0 0
76 19 1 0 0 0 0
76 50 1 0 0 0 0
77 20 1 0 0 0 0
77 51 1 0 0 0 0
78 23 1 0 0 0 0
78 52 1 0 0 0 0
79 31 1 0 0 0 0
79 50 1 0 0 0 0
80 32 1 0 0 0 0
80 53 1 0 0 0 0
81 33 1 0 0 0 0
81 54 1 0 0 0 0
82 34 1 0 0 0 0
82 52 1 0 0 0 0
83 47 1 0 0 0 0
83 54 1 0 0 0 0
84 48 1 0 0 0 0
84 51 1 0 0 0 0
85 49 1 0 0 0 0
85 53 1 0 0 0 0
86 30 1 0 0 0 0
86 57 1 0 0 0 0
M END
> <DATABASE_ID>
HMDB0035485
> <DATABASE_NAME>
hmdb
> <SMILES>
COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O
> <INCHI_IDENTIFIER>
InChI=1S/C57H96O29/c1-21(19-76-50-44(72)40(68)37(65)31(15-58)79-50)6-11-57(75-5)22(2)35-30(86-57)14-26-24-13-28(62)27-12-23(7-9-55(27,3)25(24)8-10-56(26,35)4)78-52-46(74)42(70)47(34(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)32(16-59)80-53)48(39(67)33(17-60)81-54)84-51-43(71)36(64)29(63)20-77-51/h21-54,58-74H,6-20H2,1-5H3
> <INCHI_KEY>
WXRWBINXCITVLG-UHFFFAOYSA-N
> <FORMULA>
C57H96O29
> <MOLECULAR_WEIGHT>
1245.3547
> <EXACT_MASS>
1244.60372711
> <JCHEM_ACCEPTOR_COUNT>
29
> <JCHEM_AVERAGE_POLARIZABILITY>
130.2562775856499
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
17
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
> <ALOGPS_LOGP>
-1.31
> <JCHEM_LOGP>
-4.718300216666667
> <ALOGPS_LOGS>
-2.59
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
10
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.096424575907406
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.677235623972669
> <JCHEM_PKA_STRONGEST_BASIC>
-3.672686771973492
> <JCHEM_POLAR_SURFACE_AREA>
454.67000000000024
> <JCHEM_REFRACTIVITY>
285.37370000000004
> <JCHEM_ROTATABLE_BOND_COUNT>
19
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
3.21e+00 g/l
> <JCHEM_TRADITIONAL_IUPAC>
2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside)HMDB0035485
RDKit 3D
(3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylo...
182191 0 0 0 0 0 0 0 0999 V2000
9.3983 -2.8092 -4.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9247 -3.0475 -2.7913 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7139 -1.8708 -2.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9028 -1.0081 -1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1802 -1.4746 -1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3119 -1.8238 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0666 -0.7234 0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside)HEADER PROTEIN 06-MAY-13 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 06-MAY-13 0 HETATM 1 C UNK 0 -3.602 -3.713 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 1.410 -8.557 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 8.398 -7.301 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 3.662 -7.737 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 0.148 -8.655 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -2.255 -6.016 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 11.459 -6.962 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 6.867 -7.470 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 9.928 -7.131 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 5.337 -7.640 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.926 -5.238 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 11.165 -4.311 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 7.192 -3.409 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 3.893 -3.965 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -8.902 -9.903 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 23.967 -14.969 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 21.555 -7.185 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 14.196 -10.684 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.922 -6.030 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 26.116 -13.389 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -3.593 -5.253 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 1.563 -7.024 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 12.078 -5.551 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 6.573 -4.819 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 7.486 -6.060 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 5.043 -4.989 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 9.635 -4.480 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 8.723 -3.239 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 26.734 -11.978 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 2.563 -4.742 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -8.910 -8.363 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 22.436 -15.138 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 20.937 -8.595 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 14.814 -9.274 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 2.892 -6.247 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 25.822 -10.737 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -10.248 -7.601 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 21.818 -16.549 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 21.849 -9.836 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -10.257 -6.061 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 20.287 -16.718 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 16.963 -7.694 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 24.292 -10.907 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -8.928 -5.283 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 19.375 -15.477 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 16.051 -6.453 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 16.345 -9.104 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 21.230 -11.246 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 19.700 -11.416 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -7.590 -6.046 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 23.673 -12.317 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 14.520 -6.622 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 19.993 -14.067 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 18.788 -10.175 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 9.016 -5.890 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 4.424 -6.399 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 0.412 -6.000 0.000 0.00 0.00 C+0 HETATM 58 O UNK 0 -10.231 -10.681 0.000 0.00 0.00 O+0 HETATM 59 O UNK 0 24.879 -16.209 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 23.086 -7.015 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 15.108 -11.925 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 9.341 -1.829 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 28.265 -11.809 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 26.441 -9.327 0.000 0.00 0.00 O+0 HETATM 65 O UNK 0 -11.578 -8.378 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 22.730 -17.789 0.000 0.00 0.00 O+0 HETATM 67 O UNK 0 23.379 -9.666 0.000 0.00 0.00 O+0 HETATM 68 O UNK 0 -11.595 -5.298 0.000 0.00 0.00 O+0 HETATM 69 O UNK 0 19.669 -18.129 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 18.494 -7.524 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 24.283 -9.367 0.000 0.00 0.00 O+0 HETATM 72 O UNK 0 -8.936 -3.743 0.000 0.00 0.00 O+0 HETATM 73 O UNK 0 17.844 -15.647 0.000 0.00 0.00 O+0 HETATM 74 O UNK 0 16.669 -5.042 0.000 0.00 0.00 O+0 HETATM 75 O UNK 0 -0.486 -7.251 0.000 0.00 0.00 O+0 HETATM 76 O UNK 0 -6.260 -5.268 0.000 0.00 0.00 O+0 HETATM 77 O UNK 0 24.585 -13.558 0.000 0.00 0.00 O+0 HETATM 78 O UNK 0 13.608 -5.382 0.000 0.00 0.00 O+0 HETATM 79 O UNK 0 -7.581 -7.586 0.000 0.00 0.00 O+0 HETATM 80 O UNK 0 21.524 -13.897 0.000 0.00 0.00 O+0 HETATM 81 O UNK 0 19.406 -8.765 0.000 0.00 0.00 O+0 HETATM 82 O UNK 0 13.902 -8.033 0.000 0.00 0.00 O+0 HETATM 83 O UNK 0 17.257 -10.345 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 22.143 -12.487 0.000 0.00 0.00 O+0 HETATM 85 O UNK 0 19.081 -12.826 0.000 0.00 0.00 O+0 HETATM 86 O UNK 0 1.031 -4.590 0.000 0.00 0.00 O+0 CONECT 1 21 CONECT 2 22 CONECT 3 55 CONECT 4 56 CONECT 5 75 CONECT 6 11 21 CONECT 7 9 23 CONECT 8 10 25 CONECT 9 7 55 CONECT 10 8 56 CONECT 11 6 57 CONECT 12 23 27 CONECT 13 24 28 CONECT 14 26 30 CONECT 15 31 58 CONECT 16 32 59 CONECT 17 33 60 CONECT 18 34 61 CONECT 19 21 76 CONECT 20 29 77 CONECT 21 1 6 19 CONECT 22 2 35 57 CONECT 23 7 12 78 CONECT 24 13 25 26 CONECT 25 8 24 55 CONECT 26 14 24 56 CONECT 27 12 28 55 CONECT 28 13 27 62 CONECT 29 20 36 63 CONECT 30 14 35 86 CONECT 31 15 37 79 CONECT 32 16 38 80 CONECT 33 17 39 81 CONECT 34 18 47 82 CONECT 35 22 30 56 CONECT 36 29 43 64 CONECT 37 31 40 65 CONECT 38 32 41 66 CONECT 39 33 48 67 CONECT 40 37 44 68 CONECT 41 38 45 69 CONECT 42 46 47 70 CONECT 43 36 51 71 CONECT 44 40 50 72 CONECT 45 41 53 73 CONECT 46 42 52 74 CONECT 47 34 42 83 CONECT 48 39 49 84 CONECT 49 48 54 85 CONECT 50 44 76 79 CONECT 51 43 77 84 CONECT 52 46 78 82 CONECT 53 45 80 85 CONECT 54 49 81 83 CONECT 55 3 9 25 27 CONECT 56 4 10 26 35 CONECT 57 11 22 75 86 CONECT 58 15 CONECT 59 16 CONECT 60 17 CONECT 61 18 CONECT 62 28 CONECT 63 29 CONECT 64 36 CONECT 65 37 CONECT 66 38 CONECT 67 39 CONECT 68 40 CONECT 69 41 CONECT 70 42 CONECT 71 43 CONECT 72 44 CONECT 73 45 CONECT 74 46 CONECT 75 5 57 CONECT 76 19 50 CONECT 77 20 51 CONECT 78 23 52 CONECT 79 31 50 CONECT 80 32 53 CONECT 81 33 54 CONECT 82 34 52 CONECT 83 47 54 CONECT 84 48 51 CONECT 85 49 53 CONECT 86 30 57 MASTER 0 0 0 0 0 0 0 0 86 0 190 0 END 3D PDB for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside)COMPND HMDB0035485 HETATM 1 C1 UNL 1 9.398 -2.809 -4.051 1.00 0.00 C HETATM 2 O1 UNL 1 8.925 -3.047 -2.791 1.00 0.00 O HETATM 3 C2 UNL 1 8.714 -1.871 -2.036 1.00 0.00 C HETATM 4 C3 UNL 1 9.903 -1.008 -1.980 1.00 0.00 C HETATM 5 C4 UNL 1 11.180 -1.475 -1.446 1.00 0.00 C HETATM 6 C5 UNL 1 11.312 -1.824 -0.001 1.00 0.00 C HETATM 7 C6 UNL 1 11.067 -0.723 0.968 1.00 0.00 C HETATM 8 C7 UNL 1 12.657 -2.524 0.147 1.00 0.00 C HETATM 9 O2 UNL 1 13.721 -1.785 -0.228 1.00 0.00 O HETATM 10 C8 UNL 1 14.103 -0.684 0.440 1.00 0.00 C HETATM 11 O3 UNL 1 14.122 0.471 -0.369 1.00 0.00 O HETATM 12 C9 UNL 1 14.236 1.552 0.507 1.00 0.00 C HETATM 13 C10 UNL 1 13.957 2.867 -0.149 1.00 0.00 C HETATM 14 O4 UNL 1 14.104 3.871 0.805 1.00 0.00 O HETATM 15 C11 UNL 1 15.578 1.575 1.190 1.00 0.00 C HETATM 16 O5 UNL 1 15.460 2.469 2.265 1.00 0.00 O HETATM 17 C12 UNL 1 15.958 0.236 1.748 1.00 0.00 C HETATM 18 O6 UNL 1 15.282 0.035 2.953 1.00 0.00 O HETATM 19 C13 UNL 1 15.586 -0.887 0.818 1.00 0.00 C HETATM 20 O7 UNL 1 15.731 -2.111 1.449 1.00 0.00 O HETATM 21 O8 UNL 1 7.757 -1.102 -2.819 1.00 0.00 O HETATM 22 C14 UNL 1 7.103 -0.463 -1.845 1.00 0.00 C HETATM 23 C15 UNL 1 5.764 0.111 -2.121 1.00 0.00 C HETATM 24 C16 UNL 1 5.193 0.084 -0.722 1.00 0.00 C HETATM 25 C17 UNL 1 3.689 -0.081 -0.738 1.00 0.00 C HETATM 26 C18 UNL 1 3.114 1.051 -1.492 1.00 0.00 C HETATM 27 C19 UNL 1 1.659 1.343 -1.234 1.00 0.00 C HETATM 28 O9 UNL 1 1.439 2.587 -0.699 1.00 0.00 O HETATM 29 C20 UNL 1 1.138 0.190 -0.399 1.00 0.00 C HETATM 30 C21 UNL 1 -0.302 -0.053 -0.477 1.00 0.00 C HETATM 31 C22 UNL 1 -0.983 0.188 0.848 1.00 0.00 C HETATM 32 O10 UNL 1 -2.315 -0.282 0.793 1.00 0.00 O HETATM 33 C23 UNL 1 -3.228 0.742 0.681 1.00 0.00 C HETATM 34 O11 UNL 1 -3.819 0.605 -0.572 1.00 0.00 O HETATM 35 C24 UNL 1 -4.818 -0.334 -0.640 1.00 0.00 C HETATM 36 C25 UNL 1 -4.412 -1.758 -0.487 1.00 0.00 C HETATM 37 O12 UNL 1 -5.589 -2.535 -0.582 1.00 0.00 O HETATM 38 C26 UNL 1 -6.038 -0.031 0.192 1.00 0.00 C HETATM 39 O13 UNL 1 -7.097 0.365 -0.629 1.00 0.00 O HETATM 40 C27 UNL 1 -8.274 -0.352 -0.341 1.00 0.00 C HETATM 41 O14 UNL 1 -8.352 -1.327 -1.373 1.00 0.00 O HETATM 42 C28 UNL 1 -9.389 -2.204 -1.290 1.00 0.00 C HETATM 43 C29 UNL 1 -8.992 -3.445 -0.543 1.00 0.00 C HETATM 44 O15 UNL 1 -8.629 -3.132 0.750 1.00 0.00 O HETATM 45 C30 UNL 1 -10.618 -1.514 -0.666 1.00 0.00 C HETATM 46 O16 UNL 1 -11.709 -2.193 -1.135 1.00 0.00 O HETATM 47 C31 UNL 1 -10.526 -0.082 -1.162 1.00 0.00 C HETATM 48 O17 UNL 1 -11.709 0.585 -1.258 1.00 0.00 O HETATM 49 C32 UNL 1 -12.142 0.829 -2.537 1.00 0.00 C HETATM 50 O18 UNL 1 -12.153 2.233 -2.774 1.00 0.00 O HETATM 51 C33 UNL 1 -12.234 2.459 -4.154 1.00 0.00 C HETATM 52 C34 UNL 1 -13.302 1.576 -4.801 1.00 0.00 C HETATM 53 O19 UNL 1 -12.730 0.424 -5.306 1.00 0.00 O HETATM 54 C35 UNL 1 -14.302 1.270 -3.699 1.00 0.00 C HETATM 55 O20 UNL 1 -14.647 2.498 -3.110 1.00 0.00 O HETATM 56 C36 UNL 1 -13.566 0.378 -2.689 1.00 0.00 C HETATM 57 O21 UNL 1 -13.614 -0.917 -3.187 1.00 0.00 O HETATM 58 C37 UNL 1 -9.439 0.585 -0.380 1.00 0.00 C HETATM 59 O22 UNL 1 -9.934 0.922 0.879 1.00 0.00 O HETATM 60 C38 UNL 1 -9.849 2.298 1.108 1.00 0.00 C HETATM 61 O23 UNL 1 -9.170 2.514 2.282 1.00 0.00 O HETATM 62 C39 UNL 1 -9.735 1.743 3.294 1.00 0.00 C HETATM 63 C40 UNL 1 -9.028 2.027 4.626 1.00 0.00 C HETATM 64 O24 UNL 1 -9.589 1.258 5.641 1.00 0.00 O HETATM 65 C41 UNL 1 -11.187 1.999 3.522 1.00 0.00 C HETATM 66 O25 UNL 1 -11.440 2.282 4.855 1.00 0.00 O HETATM 67 C42 UNL 1 -11.724 3.092 2.613 1.00 0.00 C HETATM 68 O26 UNL 1 -13.118 3.069 2.550 1.00 0.00 O HETATM 69 C43 UNL 1 -11.184 2.979 1.224 1.00 0.00 C HETATM 70 O27 UNL 1 -11.030 4.298 0.739 1.00 0.00 O HETATM 71 C44 UNL 1 -5.688 1.068 1.166 1.00 0.00 C HETATM 72 O28 UNL 1 -6.528 0.968 2.315 1.00 0.00 O HETATM 73 C45 UNL 1 -4.300 0.807 1.721 1.00 0.00 C HETATM 74 O29 UNL 1 -4.392 -0.321 2.537 1.00 0.00 O HETATM 75 C46 UNL 1 -0.343 -0.395 2.030 1.00 0.00 C HETATM 76 C47 UNL 1 1.080 -0.920 1.732 1.00 0.00 C HETATM 77 C48 UNL 1 1.817 0.138 0.925 1.00 0.00 C HETATM 78 C49 UNL 1 1.733 1.408 1.753 1.00 0.00 C HETATM 79 C50 UNL 1 3.272 -0.139 0.720 1.00 0.00 C HETATM 80 C51 UNL 1 3.736 -1.419 1.328 1.00 0.00 C HETATM 81 C52 UNL 1 4.854 -2.065 0.537 1.00 0.00 C HETATM 82 C53 UNL 1 5.868 -1.064 0.021 1.00 0.00 C HETATM 83 C54 UNL 1 6.692 -0.526 1.140 1.00 0.00 C HETATM 84 C55 UNL 1 6.640 -1.702 -1.046 1.00 0.00 C HETATM 85 C56 UNL 1 8.052 -2.169 -0.743 1.00 0.00 C HETATM 86 C57 UNL 1 7.990 -3.693 -0.515 1.00 0.00 C HETATM 87 H1 UNL 1 8.648 -2.181 -4.583 1.00 0.00 H HETATM 88 H2 UNL 1 10.391 -2.383 -4.057 1.00 0.00 H HETATM 89 H3 UNL 1 9.456 -3.790 -4.598 1.00 0.00 H HETATM 90 H4 UNL 1 9.664 -0.012 -1.451 1.00 0.00 H HETATM 91 H5 UNL 1 10.150 -0.585 -3.029 1.00 0.00 H HETATM 92 H6 UNL 1 11.607 -2.329 -2.079 1.00 0.00 H HETATM 93 H7 UNL 1 12.006 -0.688 -1.615 1.00 0.00 H HETATM 94 H8 UNL 1 10.521 -2.615 0.229 1.00 0.00 H HETATM 95 H9 UNL 1 11.469 -1.018 1.967 1.00 0.00 H HETATM 96 H10 UNL 1 11.498 0.257 0.603 1.00 0.00 H HETATM 97 H11 UNL 1 10.003 -0.473 1.157 1.00 0.00 H HETATM 98 H12 UNL 1 12.586 -3.395 -0.570 1.00 0.00 H HETATM 99 H13 UNL 1 12.690 -2.892 1.199 1.00 0.00 H HETATM 100 H14 UNL 1 13.592 -0.395 1.351 1.00 0.00 H HETATM 101 H15 UNL 1 13.456 1.419 1.302 1.00 0.00 H HETATM 102 H16 UNL 1 12.880 2.899 -0.451 1.00 0.00 H HETATM 103 H17 UNL 1 14.626 3.077 -0.994 1.00 0.00 H HETATM 104 H18 UNL 1 13.681 4.719 0.500 1.00 0.00 H HETATM 105 H19 UNL 1 16.313 1.982 0.476 1.00 0.00 H HETATM 106 H20 UNL 1 16.043 3.263 2.120 1.00 0.00 H HETATM 107 H21 UNL 1 17.065 0.185 1.873 1.00 0.00 H HETATM 108 H22 UNL 1 15.017 -0.912 3.074 1.00 0.00 H HETATM 109 H23 UNL 1 16.146 -0.890 -0.135 1.00 0.00 H HETATM 110 H24 UNL 1 16.197 -2.792 0.913 1.00 0.00 H HETATM 111 H25 UNL 1 7.670 0.205 -1.174 1.00 0.00 H HETATM 112 H26 UNL 1 5.754 1.123 -2.570 1.00 0.00 H HETATM 113 H27 UNL 1 5.208 -0.640 -2.761 1.00 0.00 H HETATM 114 H28 UNL 1 5.421 1.054 -0.249 1.00 0.00 H HETATM 115 H29 UNL 1 3.502 -1.086 -1.188 1.00 0.00 H HETATM 116 H30 UNL 1 3.204 0.780 -2.589 1.00 0.00 H HETATM 117 H31 UNL 1 3.702 1.995 -1.415 1.00 0.00 H HETATM 118 H32 UNL 1 1.115 1.242 -2.221 1.00 0.00 H HETATM 119 H33 UNL 1 0.489 2.851 -0.803 1.00 0.00 H HETATM 120 H34 UNL 1 1.603 -0.717 -0.966 1.00 0.00 H HETATM 121 H35 UNL 1 -0.489 -1.109 -0.836 1.00 0.00 H HETATM 122 H36 UNL 1 -0.824 0.560 -1.263 1.00 0.00 H HETATM 123 H37 UNL 1 -1.103 1.286 0.925 1.00 0.00 H HETATM 124 H38 UNL 1 -2.683 1.747 0.636 1.00 0.00 H HETATM 125 H39 UNL 1 -5.192 -0.252 -1.718 1.00 0.00 H HETATM 126 H40 UNL 1 -3.782 -2.126 -1.335 1.00 0.00 H HETATM 127 H41 UNL 1 -3.975 -1.947 0.486 1.00 0.00 H HETATM 128 H42 UNL 1 -5.840 -2.692 -1.526 1.00 0.00 H HETATM 129 H43 UNL 1 -6.410 -0.880 0.793 1.00 0.00 H HETATM 130 H44 UNL 1 -8.234 -0.940 0.562 1.00 0.00 H HETATM 131 H45 UNL 1 -9.707 -2.549 -2.328 1.00 0.00 H HETATM 132 H46 UNL 1 -8.057 -3.811 -1.049 1.00 0.00 H HETATM 133 H47 UNL 1 -9.772 -4.235 -0.604 1.00 0.00 H HETATM 134 H48 UNL 1 -9.243 -3.603 1.368 1.00 0.00 H HETATM 135 H49 UNL 1 -10.522 -1.632 0.408 1.00 0.00 H HETATM 136 H50 UNL 1 -12.537 -2.101 -0.648 1.00 0.00 H HETATM 137 H51 UNL 1 -10.153 -0.196 -2.230 1.00 0.00 H HETATM 138 H52 UNL 1 -11.520 0.364 -3.323 1.00 0.00 H HETATM 139 H53 UNL 1 -11.284 2.209 -4.633 1.00 0.00 H HETATM 140 H54 UNL 1 -12.532 3.514 -4.359 1.00 0.00 H HETATM 141 H55 UNL 1 -13.781 2.153 -5.617 1.00 0.00 H HETATM 142 H56 UNL 1 -13.474 -0.238 -5.443 1.00 0.00 H HETATM 143 H57 UNL 1 -15.185 0.738 -4.049 1.00 0.00 H HETATM 144 H58 UNL 1 -14.989 2.351 -2.184 1.00 0.00 H HETATM 145 H59 UNL 1 -14.094 0.429 -1.693 1.00 0.00 H HETATM 146 H60 UNL 1 -14.125 -1.548 -2.621 1.00 0.00 H HETATM 147 H61 UNL 1 -9.115 1.498 -0.935 1.00 0.00 H HETATM 148 H62 UNL 1 -9.336 2.802 0.249 1.00 0.00 H HETATM 149 H63 UNL 1 -9.594 0.645 3.097 1.00 0.00 H HETATM 150 H64 UNL 1 -7.959 1.809 4.463 1.00 0.00 H HETATM 151 H65 UNL 1 -9.183 3.111 4.886 1.00 0.00 H HETATM 152 H66 UNL 1 -9.870 0.362 5.279 1.00 0.00 H HETATM 153 H67 UNL 1 -11.769 1.080 3.276 1.00 0.00 H HETATM 154 H68 UNL 1 -11.976 3.112 4.959 1.00 0.00 H HETATM 155 H69 UNL 1 -11.420 4.061 3.044 1.00 0.00 H HETATM 156 H70 UNL 1 -13.443 2.943 1.619 1.00 0.00 H HETATM 157 H71 UNL 1 -11.958 2.503 0.577 1.00 0.00 H HETATM 158 H72 UNL 1 -10.403 4.808 1.330 1.00 0.00 H HETATM 159 H73 UNL 1 -5.823 2.071 0.769 1.00 0.00 H HETATM 160 H74 UNL 1 -6.516 -0.002 2.594 1.00 0.00 H HETATM 161 H75 UNL 1 -4.135 1.731 2.394 1.00 0.00 H HETATM 162 H76 UNL 1 -4.610 -0.108 3.463 1.00 0.00 H HETATM 163 H77 UNL 1 -0.933 -1.216 2.514 1.00 0.00 H HETATM 164 H78 UNL 1 -0.211 0.378 2.814 1.00 0.00 H HETATM 165 H79 UNL 1 1.583 -1.216 2.651 1.00 0.00 H HETATM 166 H80 UNL 1 0.929 -1.803 1.084 1.00 0.00 H HETATM 167 H81 UNL 1 2.704 1.991 1.693 1.00 0.00 H HETATM 168 H82 UNL 1 0.967 2.113 1.465 1.00 0.00 H HETATM 169 H83 UNL 1 1.683 1.151 2.856 1.00 0.00 H HETATM 170 H84 UNL 1 3.857 0.667 1.211 1.00 0.00 H HETATM 171 H85 UNL 1 2.935 -2.176 1.437 1.00 0.00 H HETATM 172 H86 UNL 1 4.156 -1.263 2.355 1.00 0.00 H HETATM 173 H87 UNL 1 4.463 -2.637 -0.337 1.00 0.00 H HETATM 174 H88 UNL 1 5.385 -2.799 1.159 1.00 0.00 H HETATM 175 H89 UNL 1 7.614 -0.016 0.860 1.00 0.00 H HETATM 176 H90 UNL 1 6.969 -1.334 1.879 1.00 0.00 H HETATM 177 H91 UNL 1 6.122 0.206 1.782 1.00 0.00 H HETATM 178 H92 UNL 1 6.118 -2.394 -1.692 1.00 0.00 H HETATM 179 H93 UNL 1 8.435 -1.723 0.157 1.00 0.00 H HETATM 180 H94 UNL 1 8.562 -4.226 -1.304 1.00 0.00 H HETATM 181 H95 UNL 1 6.967 -4.068 -0.513 1.00 0.00 H HETATM 182 H96 UNL 1 8.520 -3.897 0.432 1.00 0.00 H CONECT 1 2 87 88 89 CONECT 2 3 CONECT 3 4 21 85 CONECT 4 5 90 91 CONECT 5 6 92 93 CONECT 6 7 8 94 CONECT 7 95 96 97 CONECT 8 9 98 99 CONECT 9 10 CONECT 10 11 19 100 CONECT 11 12 CONECT 12 13 15 101 CONECT 13 14 102 103 CONECT 14 104 CONECT 15 16 17 105 CONECT 16 106 CONECT 17 18 19 107 CONECT 18 108 CONECT 19 20 109 CONECT 20 110 CONECT 21 22 CONECT 22 23 84 111 CONECT 23 24 112 113 CONECT 24 25 82 114 CONECT 25 26 79 115 CONECT 26 27 116 117 CONECT 27 28 29 118 CONECT 28 119 CONECT 29 30 77 120 CONECT 30 31 121 122 CONECT 31 32 75 123 CONECT 32 33 CONECT 33 34 73 124 CONECT 34 35 CONECT 35 36 38 125 CONECT 36 37 126 127 CONECT 37 128 CONECT 38 39 71 129 CONECT 39 40 CONECT 40 41 58 130 CONECT 41 42 CONECT 42 43 45 131 CONECT 43 44 132 133 CONECT 44 134 CONECT 45 46 47 135 CONECT 46 136 CONECT 47 48 58 137 CONECT 48 49 CONECT 49 50 56 138 CONECT 50 51 CONECT 51 52 139 140 CONECT 52 53 54 141 CONECT 53 142 CONECT 54 55 56 143 CONECT 55 144 CONECT 56 57 145 CONECT 57 146 CONECT 58 59 147 CONECT 59 60 CONECT 60 61 69 148 CONECT 61 62 CONECT 62 63 65 149 CONECT 63 64 150 151 CONECT 64 152 CONECT 65 66 67 153 CONECT 66 154 CONECT 67 68 69 155 CONECT 68 156 CONECT 69 70 157 CONECT 70 158 CONECT 71 72 73 159 CONECT 72 160 CONECT 73 74 161 CONECT 74 162 CONECT 75 76 163 164 CONECT 76 77 165 166 CONECT 77 78 79 CONECT 78 167 168 169 CONECT 79 80 170 CONECT 80 81 171 172 CONECT 81 82 173 174 CONECT 82 83 84 CONECT 83 175 176 177 CONECT 84 85 178 CONECT 85 86 179 CONECT 86 180 181 182 END SMILES for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside)COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O INCHI for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside)InChI=1S/C57H96O29/c1-21(19-76-50-44(72)40(68)37(65)31(15-58)79-50)6-11-57(75-5)22(2)35-30(86-57)14-26-24-13-28(62)27-12-23(7-9-55(27,3)25(24)8-10-56(26,35)4)78-52-46(74)42(70)47(34(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)32(16-59)80-53)48(39(67)33(17-60)81-54)84-51-43(71)36(64)29(63)20-77-51/h21-54,58-74H,6-20H2,1-5H3 Structure for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside)
3D Structure for HMDB0035485 ((3b,5a,6b,22a,25R)-Furostane-22-methoxy-3,6,26-triol 3-[glucosyl-(1->2)-[xylosyl-(1->3)]-glucosyl-(1->4)-galactoside] 26-glucoside) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C57H96O29 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 1245.3547 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 1244.60372711 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 2-(4-{16-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-19-hydroxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | 256642-48-5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC(O)C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C57H96O29/c1-21(19-76-50-44(72)40(68)37(65)31(15-58)79-50)6-11-57(75-5)22(2)35-30(86-57)14-26-24-13-28(62)27-12-23(7-9-55(27,3)25(24)8-10-56(26,35)4)78-52-46(74)42(70)47(34(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)32(16-59)80-53)48(39(67)33(17-60)81-54)84-51-43(71)36(64)29(63)20-77-51/h21-54,58-74H,6-20H2,1-5H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | WXRWBINXCITVLG-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physiological effect | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disposition | Biological location
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| Process | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Role | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Molecular Properties |
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| Experimental Chromatographic Properties | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Molecular Properties |
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| Predicted Chromatographic Properties | Predicted Collision Cross Sections
Predicted Kovats Retention IndicesNot Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MS/MS Spectra
NMR Spectra
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| Biological Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Cellular Locations |
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| Biospecimen Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Tissue Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Pathways |
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| Normal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Abnormal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated Disorders and Diseases | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disease References | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated OMIM IDs | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synthesis Reference | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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