Showing metabocard for Operculin VII (HMDB0302073)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 5.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Expected but not Quantified | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2021-09-23 06:16:57 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2021-09-23 06:16:57 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0302073 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Metabolite Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Operculin VII | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Operculin vii is a member of the class of compounds known as oligosaccharides. Oligosaccharides are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Operculin vii is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Operculin vii can be found in sweet potato, which makes operculin vii a potential biomarker for the consumption of this food product. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for HMDB0302073 (Operculin VII)
Mrv0541 02241212252D
93 98 0 0 0 0 999 V2000
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M END
3D MOL for HMDB0302073 (Operculin VII)HMDB0302073
RDKit 3D
Operculin VII
213218 0 0 0 0 0 0 0 0999 V2000
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2.6327 -3.0366 -8.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8085 -2.5946 -6.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1605 -4.2512 -6.9217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5079 -2.2915 -4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0525 -3.1472 -4.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8167 -5.0700 -5.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2238 -5.1572 -4.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 -5.1785 -2.6276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4375 -4.1258 -3.5391 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8449 -2.6103 -2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9290 -3.3828 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8745 -1.2911 -3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7879 -2.5179 -2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7539 -1.7923 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9183 -0.8539 -1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2124 0.3537 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7553 -0.5395 0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2276 -2.8748 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9184 -1.2542 -8.9993 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6430 -3.0457 -7.7291 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9591 -3.7688 -7.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5471 -3.4343 -9.0808 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8989 -0.9284 -7.5436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5008 0.5943 -8.5311 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9622 0.0361 -5.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7253 -1.3215 -5.7198 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6201 -4.3405 1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4042 -6.1272 2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9414 -5.5190 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5388 -5.0598 3.2782 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9012 -4.0268 3.8912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4965 -4.7259 4.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9388 -2.9406 5.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0195 -5.5131 6.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5126 -4.6951 6.3074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4343 -5.7552 4.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7011 -2.8786 2.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1403 -3.8403 2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9226 -3.1822 4.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4924 -1.7758 2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0506 -0.8729 3.4704 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1331 -1.0114 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6407 -1.8740 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4908 0.8921 1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9925 0.0533 1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6764 0.8398 -0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2014 0.0206 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5762 1.7373 -0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5068 2.4772 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6824 3.9637 0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3362 2.7857 1.7942 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8967 2.7068 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4937 4.3296 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0714 4.8738 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5137 3.2876 -1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3053 4.3877 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2363 -4.8085 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8048 -6.2102 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7637 -6.2536 3.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1484 -6.3359 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0499 -1.2929 3.3312 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0249 -0.5267 4.9871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0094 -0.2700 6.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0591 -2.0129 8.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9690 -0.6174 8.5999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0300 -1.7500 6.9947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9707 -0.3887 8.7051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4321 0.7663 9.5620 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0776 1.2881 7.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1564 2.7271 6.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3794 0.4866 5.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4111 -1.1729 7.5106 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
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
19 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
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
27 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 2 0
42 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
25 48 1 0
48 49 1 0
49 50 1 0
49 51 1 0
51 52 1 0
51 53 1 0
53 54 1 0
16 55 1 0
55 56 1 0
56 57 1 0
56 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
62 64 1 0
64 65 1 0
65 66 1 0
66 67 2 0
66 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
71 72 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
64 77 1 0
77 78 1 0
77 79 1 0
79 80 1 0
58 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
84 85 1 0
85 86 1 0
86 87 1 0
85 88 1 0
88 89 1 0
88 90 1 0
90 91 1 0
90 92 1 0
92 93 1 0
81 15 1 0
92 83 1 0
46 18 1 0
79 60 1 0
45 22 1 0
53 24 1 0
1 94 1 0
1 95 1 0
1 96 1 0
2 97 1 0
2 98 1 0
3 99 1 0
3100 1 0
4101 1 0
4102 1 0
5103 1 0
5104 1 0
6105 1 0
6106 1 0
7107 1 0
7108 1 0
8109 1 0
8110 1 0
9111 1 0
9112 1 0
10113 1 0
10114 1 0
11115 1 0
11116 1 0
15117 1 0
16118 1 0
18119 1 0
19120 1 0
20121 1 0
20122 1 0
20123 1 0
22124 1 0
24125 1 0
25126 1 0
27127 1 0
28128 1 0
28129 1 0
29130 1 0
29131 1 0
30132 1 0
30133 1 0
31134 1 0
31135 1 0
32136 1 0
32137 1 0
32138 1 0
33139 1 0
33140 1 0
34141 1 0
34142 1 0
35143 1 0
35144 1 0
36145 1 0
36146 1 0
37147 1 0
37148 1 0
38149 1 0
38150 1 0
39151 1 0
39152 1 0
40153 1 0
40154 1 0
41155 1 0
41156 1 0
45157 1 0
46158 1 0
47159 1 0
49160 1 0
50161 1 0
50162 1 0
50163 1 0
51164 1 0
52165 1 0
53166 1 0
54167 1 0
56168 1 0
57169 1 0
57170 1 0
57171 1 0
58172 1 0
60173 1 0
62174 1 0
63175 1 0
63176 1 0
63177 1 0
64178 1 0
68179 1 0
68180 1 0
69181 1 0
69182 1 0
70183 1 0
70184 1 0
71185 1 0
71186 1 0
72187 1 0
72188 1 0
73189 1 0
73190 1 0
74191 1 0
74192 1 0
75193 1 0
75194 1 0
76195 1 0
76196 1 0
76197 1 0
77198 1 0
78199 1 0
79200 1 0
80201 1 0
81202 1 0
83203 1 0
85204 1 0
86205 1 0
86206 1 0
87207 1 0
88208 1 0
89209 1 0
90210 1 0
91211 1 0
92212 1 0
93213 1 0
M END
3D SDF for HMDB0302073 (Operculin VII)
Mrv0541 02241212252D
93 98 0 0 0 0 999 V2000
-1.1196 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8341 1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8341 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1196 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4052 0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4052 1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1196 2.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4491 -0.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1196 -0.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3093 0.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3093 1.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0238 1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7382 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4527 1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1672 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8816 1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5961 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0238 0.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3106 1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0251 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7395 1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4540 1.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4491 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1636 -1.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1636 -2.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4491 -3.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7346 -2.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7346 -1.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0202 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8780 -3.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5925 -2.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3070 -3.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5925 -1.7973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0215 -2.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7359 -3.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7359 -3.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0215 -4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7359 -5.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0215 -5.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7359 -6.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0215 -6.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7359 -7.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0215 -7.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0202 -3.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7346 -4.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7346 -5.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0202 -5.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 -5.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 -4.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0202 -3.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4491 -3.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4786 -4.7732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6108 -5.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5912 -5.5098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2666 -6.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2666 -5.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5522 -5.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 -5.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 -6.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5522 -6.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9811 -6.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9811 -5.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5522 -4.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8768 -6.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5912 -6.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 -6.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0202 -6.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7346 -6.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -7.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 -8.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -9.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9314 -8.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9314 -7.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6585 -5.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3730 -5.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5865 -6.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1740 -7.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3771 -7.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6626 -7.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4491 -6.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6585 -4.5818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8780 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5925 0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5925 -0.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8780 -0.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1636 -0.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1636 0.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4491 1.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8780 1.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3070 1.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3070 -0.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7346 0.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8780 -1.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 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
1 7 1 0 0 0 0
3 8 1 0 0 0 0
4 9 1 0 0 0 0
5 10 1 0 0 0 0
6 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
12 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 0 0 0 0
23 28 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
23 8 1 0 0 0 0
25 30 1 0 0 0 0
26 51 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 2 0 0 0 0
34 32 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
39 37 1 0 0 0 0
36 37 1 0 0 0 0
39 38 1 0 0 0 0
38 40 1 0 0 0 0
43 41 1 0 0 0 0
40 41 1 0 0 0 0
42 43 1 0 0 0 0
44 45 1 0 0 0 0
44 49 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
48 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 53 1 0 0 0 0
48 54 1 0 0 0 0
55 56 1 0 0 0 0
55 60 1 0 0 0 0
55 61 1 0 0 0 0
56 57 1 0 0 0 0
56 62 1 0 0 0 0
57 58 1 0 0 0 0
57 63 1 0 0 0 0
59 60 1 0 0 0 0
54 58 1 0 0 0 0
64 65 1 0 0 0 0
64 59 1 0 0 0 0
58 59 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 80 1 0 0 0 0
65 69 1 0 0 0 0
73 69 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 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
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 1 0 0 0 0
74 81 2 0 0 0 0
74 53 1 0 0 0 0
82 83 1 0 0 0 0
82 87 1 0 0 0 0
82 89 1 0 0 0 0
83 84 1 0 0 0 0
83 90 1 0 0 0 0
84 85 1 0 0 0 0
84 91 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 92 1 0 0 0 0
85 93 1 0 0 0 0
24 93 1 0 0 0 0
M END
> <DATABASE_ID>
HMDB0302073
> <DATABASE_NAME>
hmdb
> <SMILES>
CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(O)C(O)C(C)OC4OC(CCCCC)CCCCCCCCCC(=O)OC3C2O)OC(C)C(OC2OC(C)C(OC(=O)CCCCCCCCC)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O
> <INCHI_IDENTIFIER>
InChI=1S/C68H120O25/c1-8-11-14-16-18-19-23-27-33-38-48(72)89-63-62(93-65-54(78)51(75)50(74)45(39-69)86-65)59(91-64-55(79)53(77)57(41(5)82-64)87-46(70)36-31-26-21-17-15-12-9-2)43(7)84-68(63)90-58-42(6)83-67-61(56(58)80)88-47(71)37-32-28-24-20-22-25-30-35-44(34-29-13-10-3)85-66-60(92-67)52(76)49(73)40(4)81-66/h40-45,49-69,73-80H,8-39H2,1-7H3
> <INCHI_KEY>
SNOPFOASRYQPCY-UHFFFAOYSA-N
> <FORMULA>
C68H120O25
> <MOLECULAR_WEIGHT>
1337.6654
> <EXACT_MASS>
1336.81186939
> <JCHEM_ACCEPTOR_COUNT>
22
> <JCHEM_AVERAGE_POLARIZABILITY>
150.61308157977967
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
9
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
5-{[5-(decanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl dodecanoate
> <ALOGPS_LOGP>
4.52
> <JCHEM_LOGP>
10.264218168333334
> <ALOGPS_LOGS>
-4.35
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
6
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.295912570390803
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.84179386963754
> <JCHEM_PKA_STRONGEST_BASIC>
-3.612479405917793
> <JCHEM_POLAR_SURFACE_AREA>
353.27
> <JCHEM_REFRACTIVITY>
332.32539999999995
> <JCHEM_ROTATABLE_BOND_COUNT>
33
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
5.94e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
5-{[5-(decanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl dodecanoate
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0302073 (Operculin VII)HMDB0302073
RDKit 3D
Operculin VII
213218 0 0 0 0 0 0 0 0999 V2000
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M END
PDB for HMDB0302073 (Operculin VII)HEADER PROTEIN 24-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-FEB-12 0 HETATM 1 C UNK 0 -2.090 3.520 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 -3.424 2.750 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 -3.424 1.210 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.090 0.440 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.756 1.210 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -0.756 2.750 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.090 5.060 0.000 0.00 0.00 C+0 HETATM 8 O UNK 0 -8.305 -1.045 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 -2.090 -1.100 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 0.577 0.440 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 0.577 3.520 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 1.911 2.750 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 3.245 3.520 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 4.578 2.750 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 5.912 3.520 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 7.246 2.750 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 8.579 3.520 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 1.911 1.210 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 9.913 2.750 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 11.247 3.520 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 12.580 2.750 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 13.914 3.520 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -8.305 -2.585 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -9.639 -3.355 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -9.639 -4.895 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -8.305 -5.665 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -6.971 -4.895 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -6.971 -3.355 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -5.638 -2.585 0.000 0.00 0.00 C+0 HETATM 30 O UNK 0 -10.972 -5.665 0.000 0.00 0.00 O+0 HETATM 31 C UNK 0 -12.306 -4.895 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -13.640 -5.665 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -12.306 -3.355 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -14.973 -4.895 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -16.307 -5.665 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -16.307 -7.205 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -14.973 -7.975 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -16.307 -10.285 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 -14.973 -9.515 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 -16.307 -11.825 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 -14.973 -12.595 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 -16.307 -14.905 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -14.973 -14.135 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -5.638 -7.205 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -6.971 -7.975 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -6.971 -9.515 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.638 -10.285 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 -4.304 -9.515 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 -4.304 -7.975 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 -5.638 -5.665 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 -8.305 -7.205 0.000 0.00 0.00 O+0 HETATM 52 O UNK 0 -8.360 -8.910 0.000 0.00 0.00 O+0 HETATM 53 O UNK 0 -8.607 -10.586 0.000 0.00 0.00 O+0 HETATM 54 O UNK 0 -2.970 -10.285 0.000 0.00 0.00 O+0 HETATM 55 C UNK 0 2.364 -11.825 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 2.364 -10.285 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 1.031 -9.515 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -0.303 -10.285 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -0.303 -11.825 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 1.031 -12.595 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 3.698 -12.595 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 3.698 -9.515 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 1.031 -7.975 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 -1.637 -12.595 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 -2.970 -11.825 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 -4.304 -12.595 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 -5.638 -11.825 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 -6.971 -12.595 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 -2.943 -13.365 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 -4.444 -16.483 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 -2.943 -16.825 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 -1.739 -15.865 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 -1.739 -14.325 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 -10.563 -10.093 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 -11.896 -10.863 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -12.295 -12.350 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -11.525 -13.684 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -10.037 -14.083 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 -8.704 -13.313 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 -8.305 -11.825 0.000 0.00 0.00 C+0 HETATM 81 O UNK 0 -10.563 -8.553 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 -10.972 2.035 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -12.306 1.265 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 -12.306 -0.275 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 -10.972 -1.045 0.000 0.00 0.00 C+0 HETATM 86 O UNK 0 -9.639 -0.275 0.000 0.00 0.00 O+0 HETATM 87 C UNK 0 -9.639 1.265 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 -8.305 2.035 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 -10.972 3.575 0.000 0.00 0.00 O+0 HETATM 90 O UNK 0 -13.640 2.035 0.000 0.00 0.00 O+0 HETATM 91 O UNK 0 -13.640 -1.045 0.000 0.00 0.00 O+0 HETATM 92 O UNK 0 -6.971 1.265 0.000 0.00 0.00 O+0 HETATM 93 O UNK 0 -10.972 -2.585 0.000 0.00 0.00 O+0 CONECT 1 2 6 7 CONECT 2 1 3 CONECT 3 2 4 8 CONECT 4 3 5 9 CONECT 5 4 6 10 CONECT 6 1 5 11 CONECT 7 1 CONECT 8 3 23 CONECT 9 4 CONECT 10 5 CONECT 11 6 12 CONECT 12 11 13 18 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 16 CONECT 16 15 17 CONECT 17 16 19 CONECT 18 12 CONECT 19 17 20 CONECT 20 19 21 CONECT 21 20 22 CONECT 22 21 CONECT 23 24 28 8 CONECT 24 23 25 93 CONECT 25 24 26 30 CONECT 26 25 27 51 CONECT 27 26 28 CONECT 28 23 27 29 CONECT 29 28 CONECT 30 25 31 CONECT 31 30 32 33 CONECT 32 31 34 CONECT 33 31 CONECT 34 32 35 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 39 36 CONECT 38 39 40 CONECT 39 37 38 CONECT 40 38 41 CONECT 41 43 40 CONECT 42 43 CONECT 43 41 42 CONECT 44 45 49 50 CONECT 45 44 46 51 CONECT 46 45 47 52 CONECT 47 46 48 53 CONECT 48 47 49 54 CONECT 49 44 48 CONECT 50 44 CONECT 51 26 45 CONECT 52 46 CONECT 53 47 74 CONECT 54 48 58 CONECT 55 56 60 61 CONECT 56 55 57 62 CONECT 57 56 58 63 CONECT 58 57 54 59 CONECT 59 60 64 58 CONECT 60 55 59 CONECT 61 55 CONECT 62 56 CONECT 63 57 CONECT 64 65 59 CONECT 65 64 66 69 CONECT 66 65 67 CONECT 67 66 68 CONECT 68 67 80 CONECT 69 65 73 CONECT 70 71 CONECT 71 70 72 CONECT 72 71 73 CONECT 73 69 72 CONECT 74 75 81 53 CONECT 75 74 76 CONECT 76 75 77 CONECT 77 76 78 CONECT 78 77 79 CONECT 79 78 80 CONECT 80 68 79 CONECT 81 74 CONECT 82 83 87 89 CONECT 83 82 84 90 CONECT 84 83 85 91 CONECT 85 84 86 93 CONECT 86 85 87 CONECT 87 82 86 88 CONECT 88 87 92 CONECT 89 82 CONECT 90 83 CONECT 91 84 CONECT 92 88 CONECT 93 85 24 MASTER 0 0 0 0 0 0 0 0 93 0 196 0 END 3D PDB for HMDB0302073 (Operculin VII)COMPND HMDB0302073 HETATM 1 C1 UNL 1 -1.342 5.921 -1.824 1.00 0.00 C HETATM 2 C2 UNL 1 -0.701 6.662 -0.653 1.00 0.00 C HETATM 3 C3 UNL 1 -1.553 6.393 0.564 1.00 0.00 C HETATM 4 C4 UNL 1 -1.017 7.081 1.805 1.00 0.00 C HETATM 5 C5 UNL 1 -1.870 6.797 3.010 1.00 0.00 C HETATM 6 C6 UNL 1 -3.285 7.264 2.838 1.00 0.00 C HETATM 7 C7 UNL 1 -4.149 6.976 4.026 1.00 0.00 C HETATM 8 C8 UNL 1 -4.234 5.491 4.344 1.00 0.00 C HETATM 9 C9 UNL 1 -4.779 4.707 3.200 1.00 0.00 C HETATM 10 C10 UNL 1 -4.900 3.215 3.477 1.00 0.00 C HETATM 11 C11 UNL 1 -5.427 2.492 2.273 1.00 0.00 C HETATM 12 C12 UNL 1 -5.600 1.054 2.417 1.00 0.00 C HETATM 13 O1 UNL 1 -6.710 0.606 2.835 1.00 0.00 O HETATM 14 O2 UNL 1 -4.637 0.092 2.129 1.00 0.00 O HETATM 15 C13 UNL 1 -4.859 -1.281 2.267 1.00 0.00 C HETATM 16 C14 UNL 1 -4.795 -2.002 0.926 1.00 0.00 C HETATM 17 O3 UNL 1 -3.536 -2.292 0.509 1.00 0.00 O HETATM 18 C15 UNL 1 -3.152 -1.855 -0.738 1.00 0.00 C HETATM 19 C16 UNL 1 -2.867 -3.059 -1.667 1.00 0.00 C HETATM 20 C17 UNL 1 -4.160 -3.620 -2.207 1.00 0.00 C HETATM 21 O4 UNL 1 -1.931 -2.762 -2.612 1.00 0.00 O HETATM 22 C18 UNL 1 -1.898 -1.419 -2.988 1.00 0.00 C HETATM 23 O5 UNL 1 -1.078 -1.194 -4.051 1.00 0.00 O HETATM 24 C19 UNL 1 -1.527 -1.553 -5.293 1.00 0.00 C HETATM 25 C20 UNL 1 -0.472 -1.021 -6.279 1.00 0.00 C HETATM 26 O6 UNL 1 0.782 -1.281 -5.797 1.00 0.00 O HETATM 27 C21 UNL 1 1.797 -0.470 -6.217 1.00 0.00 C HETATM 28 C22 UNL 1 1.381 0.858 -6.785 1.00 0.00 C HETATM 29 C23 UNL 1 2.647 1.598 -7.175 1.00 0.00 C HETATM 30 C24 UNL 1 2.369 2.960 -7.766 1.00 0.00 C HETATM 31 C25 UNL 1 3.732 3.557 -8.096 1.00 0.00 C HETATM 32 C26 UNL 1 3.630 4.921 -8.697 1.00 0.00 C HETATM 33 C27 UNL 1 2.719 -1.138 -7.215 1.00 0.00 C HETATM 34 C28 UNL 1 2.702 -2.632 -7.136 1.00 0.00 C HETATM 35 C29 UNL 1 3.949 -3.213 -6.531 1.00 0.00 C HETATM 36 C30 UNL 1 3.970 -3.221 -5.043 1.00 0.00 C HETATM 37 C31 UNL 1 3.411 -4.462 -4.417 1.00 0.00 C HETATM 38 C32 UNL 1 2.509 -4.235 -3.250 1.00 0.00 C HETATM 39 C33 UNL 1 2.869 -3.060 -2.391 1.00 0.00 C HETATM 40 C34 UNL 1 1.742 -2.017 -2.396 1.00 0.00 C HETATM 41 C35 UNL 1 1.839 -1.210 -1.111 1.00 0.00 C HETATM 42 C36 UNL 1 0.917 -0.031 -1.179 1.00 0.00 C HETATM 43 O7 UNL 1 1.285 0.940 -0.421 1.00 0.00 O HETATM 44 O8 UNL 1 -0.165 -0.063 -1.979 1.00 0.00 O HETATM 45 C37 UNL 1 -1.464 -0.508 -1.853 1.00 0.00 C HETATM 46 C38 UNL 1 -1.792 -1.211 -0.564 1.00 0.00 C HETATM 47 O9 UNL 1 -0.910 -2.306 -0.387 1.00 0.00 O HETATM 48 O10 UNL 1 -0.675 -1.699 -7.474 1.00 0.00 O HETATM 49 C39 UNL 1 -1.965 -1.645 -7.946 1.00 0.00 C HETATM 50 C40 UNL 1 -2.580 -3.045 -8.045 1.00 0.00 C HETATM 51 C41 UNL 1 -2.850 -0.716 -7.171 1.00 0.00 C HETATM 52 O11 UNL 1 -2.609 0.598 -7.538 1.00 0.00 O HETATM 53 C42 UNL 1 -2.832 -0.965 -5.697 1.00 0.00 C HETATM 54 O12 UNL 1 -3.926 -1.758 -5.341 1.00 0.00 O HETATM 55 O13 UNL 1 -5.379 -3.244 1.233 1.00 0.00 O HETATM 56 C43 UNL 1 -4.384 -3.991 1.851 1.00 0.00 C HETATM 57 C44 UNL 1 -5.094 -5.294 2.272 1.00 0.00 C HETATM 58 C45 UNL 1 -3.682 -3.373 2.991 1.00 0.00 C HETATM 59 O14 UNL 1 -2.289 -3.467 2.843 1.00 0.00 O HETATM 60 C46 UNL 1 -1.677 -4.286 3.766 1.00 0.00 C HETATM 61 O15 UNL 1 -0.909 -3.563 4.685 1.00 0.00 O HETATM 62 C47 UNL 1 0.431 -3.842 4.663 1.00 0.00 C HETATM 63 C48 UNL 1 0.826 -5.031 5.482 1.00 0.00 C HETATM 64 C49 UNL 1 0.998 -3.860 3.250 1.00 0.00 C HETATM 65 O16 UNL 1 2.408 -3.956 3.370 1.00 0.00 O HETATM 66 C50 UNL 1 3.240 -2.894 3.019 1.00 0.00 C HETATM 67 O17 UNL 1 2.649 -1.867 2.602 1.00 0.00 O HETATM 68 C51 UNL 1 4.716 -2.960 3.128 1.00 0.00 C HETATM 69 C52 UNL 1 5.377 -1.683 2.772 1.00 0.00 C HETATM 70 C53 UNL 1 5.166 -1.179 1.389 1.00 0.00 C HETATM 71 C54 UNL 1 5.907 0.151 1.189 1.00 0.00 C HETATM 72 C55 UNL 1 5.733 0.719 -0.177 1.00 0.00 C HETATM 73 C56 UNL 1 6.508 2.011 -0.246 1.00 0.00 C HETATM 74 C57 UNL 1 6.068 3.042 0.747 1.00 0.00 C HETATM 75 C58 UNL 1 4.633 3.466 0.611 1.00 0.00 C HETATM 76 C59 UNL 1 4.359 4.067 -0.764 1.00 0.00 C HETATM 77 C60 UNL 1 0.369 -4.994 2.510 1.00 0.00 C HETATM 78 O18 UNL 1 1.238 -6.101 2.609 1.00 0.00 O HETATM 79 C61 UNL 1 -0.928 -5.418 3.155 1.00 0.00 C HETATM 80 O19 UNL 1 -1.703 -5.979 2.143 1.00 0.00 O HETATM 81 C62 UNL 1 -3.972 -1.924 3.280 1.00 0.00 C HETATM 82 O20 UNL 1 -4.527 -1.880 4.557 1.00 0.00 O HETATM 83 C63 UNL 1 -3.875 -1.084 5.454 1.00 0.00 C HETATM 84 O21 UNL 1 -3.326 -1.801 6.542 1.00 0.00 O HETATM 85 C64 UNL 1 -2.507 -0.861 7.184 1.00 0.00 C HETATM 86 C65 UNL 1 -1.502 -1.459 8.109 1.00 0.00 C HETATM 87 O22 UNL 1 -0.608 -2.326 7.490 1.00 0.00 O HETATM 88 C66 UNL 1 -3.344 0.136 7.963 1.00 0.00 C HETATM 89 O23 UNL 1 -2.456 1.006 8.601 1.00 0.00 O HETATM 90 C67 UNL 1 -4.224 0.884 7.003 1.00 0.00 C HETATM 91 O24 UNL 1 -3.562 1.942 6.377 1.00 0.00 O HETATM 92 C68 UNL 1 -4.832 -0.078 6.029 1.00 0.00 C HETATM 93 O25 UNL 1 -5.820 -0.806 6.700 1.00 0.00 O HETATM 94 H1 UNL 1 -2.445 5.820 -1.612 1.00 0.00 H HETATM 95 H2 UNL 1 -0.928 4.912 -1.956 1.00 0.00 H HETATM 96 H3 UNL 1 -1.232 6.500 -2.762 1.00 0.00 H HETATM 97 H4 UNL 1 0.333 6.307 -0.474 1.00 0.00 H HETATM 98 H5 UNL 1 -0.674 7.737 -0.894 1.00 0.00 H HETATM 99 H6 UNL 1 -2.565 6.793 0.317 1.00 0.00 H HETATM 100 H7 UNL 1 -1.664 5.319 0.726 1.00 0.00 H HETATM 101 H8 UNL 1 0.008 6.692 1.993 1.00 0.00 H HETATM 102 H9 UNL 1 -0.941 8.165 1.600 1.00 0.00 H HETATM 103 H10 UNL 1 -1.837 5.706 3.208 1.00 0.00 H HETATM 104 H11 UNL 1 -1.374 7.273 3.885 1.00 0.00 H HETATM 105 H12 UNL 1 -3.753 6.844 1.941 1.00 0.00 H HETATM 106 H13 UNL 1 -3.224 8.391 2.768 1.00 0.00 H HETATM 107 H14 UNL 1 -3.704 7.465 4.918 1.00 0.00 H HETATM 108 H15 UNL 1 -5.155 7.411 3.895 1.00 0.00 H HETATM 109 H16 UNL 1 -4.868 5.416 5.261 1.00 0.00 H HETATM 110 H17 UNL 1 -3.219 5.173 4.647 1.00 0.00 H HETATM 111 H18 UNL 1 -4.145 4.892 2.304 1.00 0.00 H HETATM 112 H19 UNL 1 -5.787 5.113 2.958 1.00 0.00 H HETATM 113 H20 UNL 1 -5.602 3.078 4.323 1.00 0.00 H HETATM 114 H21 UNL 1 -3.913 2.869 3.782 1.00 0.00 H HETATM 115 H22 UNL 1 -6.436 2.923 2.007 1.00 0.00 H HETATM 116 H23 UNL 1 -4.785 2.723 1.394 1.00 0.00 H HETATM 117 H24 UNL 1 -5.905 -1.405 2.620 1.00 0.00 H HETATM 118 H25 UNL 1 -5.441 -1.453 0.245 1.00 0.00 H HETATM 119 H26 UNL 1 -3.880 -1.271 -1.293 1.00 0.00 H HETATM 120 H27 UNL 1 -2.437 -3.837 -0.982 1.00 0.00 H HETATM 121 H28 UNL 1 -3.896 -4.401 -2.928 1.00 0.00 H HETATM 122 H29 UNL 1 -4.668 -4.108 -1.323 1.00 0.00 H HETATM 123 H30 UNL 1 -4.862 -2.866 -2.570 1.00 0.00 H HETATM 124 H31 UNL 1 -2.950 -1.196 -3.315 1.00 0.00 H HETATM 125 H32 UNL 1 -1.554 -2.658 -5.338 1.00 0.00 H HETATM 126 H33 UNL 1 -0.637 0.047 -6.450 1.00 0.00 H HETATM 127 H34 UNL 1 2.423 -0.245 -5.308 1.00 0.00 H HETATM 128 H35 UNL 1 0.790 1.485 -6.115 1.00 0.00 H HETATM 129 H36 UNL 1 0.796 0.680 -7.734 1.00 0.00 H HETATM 130 H37 UNL 1 3.215 1.743 -6.218 1.00 0.00 H HETATM 131 H38 UNL 1 3.291 1.006 -7.839 1.00 0.00 H HETATM 132 H39 UNL 1 1.812 3.592 -7.076 1.00 0.00 H HETATM 133 H40 UNL 1 1.825 2.817 -8.718 1.00 0.00 H HETATM 134 H41 UNL 1 4.283 3.672 -7.129 1.00 0.00 H HETATM 135 H42 UNL 1 4.330 2.874 -8.725 1.00 0.00 H HETATM 136 H43 UNL 1 3.343 4.961 -9.746 1.00 0.00 H HETATM 137 H44 UNL 1 4.649 5.398 -8.609 1.00 0.00 H HETATM 138 H45 UNL 1 2.990 5.566 -8.029 1.00 0.00 H HETATM 139 H46 UNL 1 2.481 -0.807 -8.249 1.00 0.00 H HETATM 140 H47 UNL 1 3.743 -0.804 -7.015 1.00 0.00 H HETATM 141 H48 UNL 1 1.779 -2.948 -6.624 1.00 0.00 H HETATM 142 H49 UNL 1 2.633 -3.037 -8.167 1.00 0.00 H HETATM 143 H50 UNL 1 4.808 -2.595 -6.892 1.00 0.00 H HETATM 144 H51 UNL 1 4.161 -4.251 -6.922 1.00 0.00 H HETATM 145 H52 UNL 1 3.508 -2.292 -4.681 1.00 0.00 H HETATM 146 H53 UNL 1 5.052 -3.147 -4.727 1.00 0.00 H HETATM 147 H54 UNL 1 2.817 -5.070 -5.164 1.00 0.00 H HETATM 148 H55 UNL 1 4.224 -5.157 -4.091 1.00 0.00 H HETATM 149 H56 UNL 1 2.520 -5.178 -2.628 1.00 0.00 H HETATM 150 H57 UNL 1 1.438 -4.126 -3.539 1.00 0.00 H HETATM 151 H58 UNL 1 3.845 -2.610 -2.616 1.00 0.00 H HETATM 152 H59 UNL 1 2.929 -3.383 -1.311 1.00 0.00 H HETATM 153 H60 UNL 1 1.874 -1.291 -3.217 1.00 0.00 H HETATM 154 H61 UNL 1 0.788 -2.518 -2.537 1.00 0.00 H HETATM 155 H62 UNL 1 1.754 -1.792 -0.198 1.00 0.00 H HETATM 156 H63 UNL 1 2.918 -0.854 -1.111 1.00 0.00 H HETATM 157 H64 UNL 1 -2.212 0.354 -1.896 1.00 0.00 H HETATM 158 H65 UNL 1 -1.755 -0.540 0.317 1.00 0.00 H HETATM 159 H66 UNL 1 -1.228 -2.875 0.368 1.00 0.00 H HETATM 160 H67 UNL 1 -1.918 -1.254 -8.999 1.00 0.00 H HETATM 161 H68 UNL 1 -3.643 -3.046 -7.729 1.00 0.00 H HETATM 162 H69 UNL 1 -1.959 -3.769 -7.441 1.00 0.00 H HETATM 163 H70 UNL 1 -2.547 -3.434 -9.081 1.00 0.00 H HETATM 164 H71 UNL 1 -3.899 -0.928 -7.544 1.00 0.00 H HETATM 165 H72 UNL 1 -2.501 0.594 -8.531 1.00 0.00 H HETATM 166 H73 UNL 1 -2.962 0.036 -5.195 1.00 0.00 H HETATM 167 H74 UNL 1 -4.725 -1.322 -5.720 1.00 0.00 H HETATM 168 H75 UNL 1 -3.620 -4.340 1.107 1.00 0.00 H HETATM 169 H76 UNL 1 -4.404 -6.127 2.409 1.00 0.00 H HETATM 170 H77 UNL 1 -5.941 -5.519 1.597 1.00 0.00 H HETATM 171 H78 UNL 1 -5.539 -5.060 3.278 1.00 0.00 H HETATM 172 H79 UNL 1 -3.901 -4.027 3.891 1.00 0.00 H HETATM 173 H80 UNL 1 -2.496 -4.726 4.407 1.00 0.00 H HETATM 174 H81 UNL 1 0.939 -2.941 5.133 1.00 0.00 H HETATM 175 H82 UNL 1 -0.020 -5.513 6.018 1.00 0.00 H HETATM 176 H83 UNL 1 1.513 -4.695 6.307 1.00 0.00 H HETATM 177 H84 UNL 1 1.434 -5.755 4.902 1.00 0.00 H HETATM 178 H85 UNL 1 0.701 -2.879 2.818 1.00 0.00 H HETATM 179 H86 UNL 1 5.140 -3.840 2.600 1.00 0.00 H HETATM 180 H87 UNL 1 4.923 -3.182 4.218 1.00 0.00 H HETATM 181 H88 UNL 1 6.492 -1.776 2.928 1.00 0.00 H HETATM 182 H89 UNL 1 5.051 -0.873 3.470 1.00 0.00 H HETATM 183 H90 UNL 1 4.133 -1.011 1.088 1.00 0.00 H HETATM 184 H91 UNL 1 5.641 -1.874 0.644 1.00 0.00 H HETATM 185 H92 UNL 1 5.491 0.892 1.914 1.00 0.00 H HETATM 186 H93 UNL 1 6.993 0.053 1.394 1.00 0.00 H HETATM 187 H94 UNL 1 4.676 0.840 -0.481 1.00 0.00 H HETATM 188 H95 UNL 1 6.201 0.021 -0.901 1.00 0.00 H HETATM 189 H96 UNL 1 7.576 1.737 -0.030 1.00 0.00 H HETATM 190 H97 UNL 1 6.507 2.477 -1.245 1.00 0.00 H HETATM 191 H98 UNL 1 6.682 3.964 0.524 1.00 0.00 H HETATM 192 H99 UNL 1 6.336 2.786 1.794 1.00 0.00 H HETATM 193 HA0 UNL 1 3.897 2.707 0.865 1.00 0.00 H HETATM 194 HA1 UNL 1 4.494 4.330 1.322 1.00 0.00 H HETATM 195 HA2 UNL 1 5.071 4.874 -0.996 1.00 0.00 H HETATM 196 HA3 UNL 1 4.514 3.288 -1.548 1.00 0.00 H HETATM 197 HA4 UNL 1 3.305 4.388 -0.809 1.00 0.00 H HETATM 198 HA5 UNL 1 0.236 -4.809 1.423 1.00 0.00 H HETATM 199 HA6 UNL 1 1.805 -6.210 1.824 1.00 0.00 H HETATM 200 HA7 UNL 1 -0.764 -6.254 3.885 1.00 0.00 H HETATM 201 HA8 UNL 1 -1.148 -6.336 1.407 1.00 0.00 H HETATM 202 HA9 UNL 1 -3.050 -1.293 3.331 1.00 0.00 H HETATM 203 HB0 UNL 1 -3.025 -0.527 4.987 1.00 0.00 H HETATM 204 HB1 UNL 1 -2.009 -0.270 6.367 1.00 0.00 H HETATM 205 HB2 UNL 1 -2.059 -2.013 8.907 1.00 0.00 H HETATM 206 HB3 UNL 1 -0.969 -0.617 8.600 1.00 0.00 H HETATM 207 HB4 UNL 1 0.030 -1.750 6.995 1.00 0.00 H HETATM 208 HB5 UNL 1 -3.971 -0.389 8.705 1.00 0.00 H HETATM 209 HB6 UNL 1 -2.432 0.766 9.562 1.00 0.00 H HETATM 210 HB7 UNL 1 -5.078 1.288 7.615 1.00 0.00 H HETATM 211 HB8 UNL 1 -4.156 2.727 6.407 1.00 0.00 H HETATM 212 HB9 UNL 1 -5.379 0.487 5.240 1.00 0.00 H HETATM 213 HC0 UNL 1 -5.411 -1.173 7.511 1.00 0.00 H CONECT 1 2 94 95 96 CONECT 2 3 97 98 CONECT 3 4 99 100 CONECT 4 5 101 102 CONECT 5 6 103 104 CONECT 6 7 105 106 CONECT 7 8 107 108 CONECT 8 9 109 110 CONECT 9 10 111 112 CONECT 10 11 113 114 CONECT 11 12 115 116 CONECT 12 13 13 14 CONECT 14 15 CONECT 15 16 81 117 CONECT 16 17 55 118 CONECT 17 18 CONECT 18 19 46 119 CONECT 19 20 21 120 CONECT 20 121 122 123 CONECT 21 22 CONECT 22 23 45 124 CONECT 23 24 CONECT 24 25 53 125 CONECT 25 26 48 126 CONECT 26 27 CONECT 27 28 33 127 CONECT 28 29 128 129 CONECT 29 30 130 131 CONECT 30 31 132 133 CONECT 31 32 134 135 CONECT 32 136 137 138 CONECT 33 34 139 140 CONECT 34 35 141 142 CONECT 35 36 143 144 CONECT 36 37 145 146 CONECT 37 38 147 148 CONECT 38 39 149 150 CONECT 39 40 151 152 CONECT 40 41 153 154 CONECT 41 42 155 156 CONECT 42 43 43 44 CONECT 44 45 CONECT 45 46 157 CONECT 46 47 158 CONECT 47 159 CONECT 48 49 CONECT 49 50 51 160 CONECT 50 161 162 163 CONECT 51 52 53 164 CONECT 52 165 CONECT 53 54 166 CONECT 54 167 CONECT 55 56 CONECT 56 57 58 168 CONECT 57 169 170 171 CONECT 58 59 81 172 CONECT 59 60 CONECT 60 61 79 173 CONECT 61 62 CONECT 62 63 64 174 CONECT 63 175 176 177 CONECT 64 65 77 178 CONECT 65 66 CONECT 66 67 67 68 CONECT 68 69 179 180 CONECT 69 70 181 182 CONECT 70 71 183 184 CONECT 71 72 185 186 CONECT 72 73 187 188 CONECT 73 74 189 190 CONECT 74 75 191 192 CONECT 75 76 193 194 CONECT 76 195 196 197 CONECT 77 78 79 198 CONECT 78 199 CONECT 79 80 200 CONECT 80 201 CONECT 81 82 202 CONECT 82 83 CONECT 83 84 92 203 CONECT 84 85 CONECT 85 86 88 204 CONECT 86 87 205 206 CONECT 87 207 CONECT 88 89 90 208 CONECT 89 209 CONECT 90 91 92 210 CONECT 91 211 CONECT 92 93 212 CONECT 93 213 END SMILES for HMDB0302073 (Operculin VII)CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(O)C(O)C(C)OC4OC(CCCCC)CCCCCCCCCC(=O)OC3C2O)OC(C)C(OC2OC(C)C(OC(=O)CCCCCCCCC)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O INCHI for HMDB0302073 (Operculin VII)InChI=1S/C68H120O25/c1-8-11-14-16-18-19-23-27-33-38-48(72)89-63-62(93-65-54(78)51(75)50(74)45(39-69)86-65)59(91-64-55(79)53(77)57(41(5)82-64)87-46(70)36-31-26-21-17-15-12-9-2)43(7)84-68(63)90-58-42(6)83-67-61(56(58)80)88-47(71)37-32-28-24-20-22-25-30-35-44(34-29-13-10-3)85-66-60(92-67)52(76)49(73)40(4)81-66/h40-45,49-69,73-80H,8-39H2,1-7H3 3D Structure for HMDB0302073 (Operculin VII) | 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| Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C68H120O25 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 1337.6654 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 1336.81186939 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 5-{[5-(decanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl dodecanoate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 5-{[5-(decanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl dodecanoate | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(O)C(O)C(C)OC4OC(CCCCC)CCCCCCCCCC(=O)OC3C2O)OC(C)C(OC2OC(C)C(OC(=O)CCCCCCCCC)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C68H120O25/c1-8-11-14-16-18-19-23-27-33-38-48(72)89-63-62(93-65-54(78)51(75)50(74)45(39-69)86-65)59(91-64-55(79)53(77)57(41(5)82-64)87-46(70)36-31-26-21-17-15-12-9-2)43(7)84-68(63)90-58-42(6)83-67-61(56(58)80)88-47(71)37-32-28-24-20-22-25-30-35-44(34-29-13-10-3)85-66-60(92-67)52(76)49(73)40(4)81-66/h40-45,49-69,73-80H,8-39H2,1-7H3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | SNOPFOASRYQPCY-UHFFFAOYSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic oxygen compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Organooxygen compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Carbohydrates and carbohydrate conjugates | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Oligosaccharides | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aliphatic heteropolycyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physiological effect | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disposition | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Process | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Role | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Molecular Properties |
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| Experimental Chromatographic Properties | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Molecular Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Chromatographic Properties | Predicted Collision Cross Sections
Predicted Kovats Retention IndicesNot Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MS/MS Spectra
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| Biological Properties | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Cellular Locations | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FooDB ID | FDB001824 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Food Biomarker Ontology | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| VMH ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| MarkerDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synthesis Reference | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
