Showing metabocard for Maltononaose (HMDB0013001)
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| Version | 5.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Expected but not Quantified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2009-07-25 00:11:24 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2021-09-14 15:44:41 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0013001 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers |
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| Metabolite Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Maltononaose | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Maltodecaose is a polysaccharide with 9 units of glucose and belongs to maltodextrins. Maltodextrin is a polysaccharide that is used as a food additive. It is produced from starch by partial hydrolysis and is usually found as a creamy-white hygroscopic spraydried powder. Maltodextrin is easily digestible, being absorbed as rapidly as glucose, and might be either moderately sweet or almost flavorless. It is commonly used for the production of natural sodas and candy such as SweeTarts. Maltodextrin consists of D-glucose units connected in chains of variable length. The glucose units are primarily linked with a(1→4) glycosidic bonds. Maltodextrin is typically composed of a mixture of chains that vary from three to nineteen glucose units long. Maltodextrins are classified by DE (dextrose equivalent) and have a DE between 3 to 20. (The higher the DE value, the shorter the glucose chains, the higher the sweetness and the higher the solubility.) Above DE 20, the European Union's CN code calls it glucose syrup, at DE 10 or lower the customs CN code nomenclature classifies maltodextrins as dextrins. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for HMDB0013001 (Maltononaose)
Mrv0541 02251208142D
100108 0 0 1 0 999 V2000
10.8195 -15.7710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6445 -15.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4070 -16.4854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0570 -16.4854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8195 -17.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5820 -16.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6445 -17.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8820 -16.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4070 -17.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0570 -17.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2945 -17.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0104 -12.5902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8355 -12.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5979 -13.3047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2480 -13.3047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0104 -14.0192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7729 -13.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8355 -14.0192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0730 -13.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5979 -14.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2480 -14.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4855 -14.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2608 -6.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.0858 -6.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.8483 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8483 -7.4449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.4983 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4983 -6.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0233 -6.0160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.2608 -8.1594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0233 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0858 -8.1594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.0858 -5.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6108 -6.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6108 -5.3015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.8483 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4983 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7858 -6.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7858 -5.3015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0233 -4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3233 -8.8739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3733 -6.0160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3733 -7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3733 -4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7358 -8.1594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.7358 -9.5884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5483 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7858 -8.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.5608 -8.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3233 -7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5608 -9.5884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.3233 -10.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1358 -6.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.9733 -8.8739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.7358 -6.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9733 -10.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5483 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3107 -6.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7983 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1358 -8.1594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8982 -7.4449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8982 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2108 -8.1594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3107 -8.1594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5483 -8.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0732 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7983 -7.4449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.0358 -8.1594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8982 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3733 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2108 -6.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9733 -7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4483 -7.4449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.4483 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3107 -9.5884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.0358 -6.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.5608 -6.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2734 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1358 -9.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8982 -10.3029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.4483 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5483 -10.3029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3107 -11.0173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0732 -10.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0358 -5.3015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1358 -11.0173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3733 -10.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8982 -11.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2108 -5.3015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.4483 -4.5870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5483 -11.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7858 -11.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7983 -4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7983 -6.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0358 -3.8726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
19.2734 -4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2108 -3.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9733 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.4483 -3.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7983 -3.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
2 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 6 0 0 0
4 7 1 0 0 0 0
4 8 1 1 0 0 0
5 9 1 1 0 0 0
7 10 1 6 0 0 0
8 11 1 0 0 0 0
5 7 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 6 0 0 0
15 18 1 0 0 0 0
15 19 1 1 0 0 0
16 20 1 1 0 0 0
18 21 1 6 0 0 0
19 22 1 0 0 0 0
16 18 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 6 0 0 0
23 26 1 0 0 0 0
24 27 1 0 0 0 0
24 28 1 1 0 0 0
29 25 1 6 0 0 0
26 30 1 0 0 0 0
26 31 1 1 0 0 0
27 32 1 0 0 0 0
28 33 1 0 0 0 0
29 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 6 0 0 0
32 37 1 6 0 0 0
34 38 1 0 0 0 0
35 39 1 0 0 0 0
35 40 1 6 0 0 0
41 37 1 6 0 0 0
38 42 1 0 0 0 0
38 43 1 1 0 0 0
39 44 1 1 0 0 0
41 45 1 0 0 0 0
41 46 1 0 0 0 0
42 47 1 6 0 0 0
43 48 1 0 0 0 0
45 49 1 0 0 0 0
45 50 1 1 0 0 0
46 51 1 0 0 0 0
46 52 1 1 0 0 0
53 47 1 6 0 0 0
49 54 1 0 0 0 0
50 55 1 0 0 0 0
51 56 1 6 0 0 0
53 57 1 0 0 0 0
53 58 1 0 0 0 0
54 59 1 6 0 0 0
57 60 1 0 0 0 0
58 61 1 0 0 0 0
58 62 1 6 0 0 0
63 59 1 6 0 0 0
60 64 1 0 0 0 0
60 65 1 1 0 0 0
61 66 1 1 0 0 0
63 67 1 0 0 0 0
63 68 1 0 0 0 0
64 69 1 6 0 0 0
65 70 1 0 0 0 0
67 71 1 0 0 0 0
67 72 1 1 0 0 0
68 73 1 0 0 0 0
68 74 1 1 0 0 0
75 69 1 6 0 0 0
71 76 1 0 0 0 0
72 77 1 0 0 0 0
73 78 1 6 0 0 0
75 79 1 0 0 0 0
75 80 1 0 0 0 0
76 81 1 6 0 0 0
79 82 1 0 0 0 0
80 83 1 0 0 0 0
80 84 1 6 0 0 0
85 81 1 6 0 0 0
82 86 1 0 0 0 0
82 87 1 1 0 0 0
83 88 1 1 0 0 0
85 89 1 0 0 0 0
85 90 1 0 0 0 0
86 91 1 6 0 0 0
87 92 1 0 0 0 0
89 93 1 0 0 0 0
89 94 1 1 0 0 0
90 95 1 0 0 0 0
90 96 1 1 0 0 0
93 97 1 0 0 0 0
94 98 1 0 0 0 0
95 99 1 6 0 0 0
97100 1 0 0 0 0
30 32 1 0 0 0 0
39 42 1 0 0 0 0
51 54 1 0 0 0 0
61 64 1 0 0 0 0
73 76 1 0 0 0 0
83 86 1 0 0 0 0
95 97 1 0 0 0 0
12 91 1 6 0 0 0
1 21 1 6 0 0 0
M END
3D MOL for HMDB0013001 (Maltononaose)HMDB0013001
RDKit 3D
Maltononaose
192200 0 0 0 0 0 0 0 0999 V2000
-0.5204 -3.1445 -2.0244 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9263 -2.1761 -1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4034 -0.7906 -1.6001 C 0 0 2 0 0 0 0 0 0 0 0 0
0.9138 -0.8913 -1.6420 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7340 -0.4578 -0.6551 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0819 -0.4453 -1.0168 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9431 -0.8773 -0.0184 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8442 0.2227 0.4708 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8498 0.2204 1.9782 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3927 -0.8750 2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0811 0.1640 -0.1281 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7367 -1.0394 0.1565 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8680 -1.0158 -0.7107 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0230 -0.7211 -0.0475 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6715 0.5565 -0.5910 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5482 1.7039 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1391 2.8296 -0.1804 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 0.2587 -0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7612 -0.0025 0.2268 C 0 0 2 0 0 0 0 0 0 0 0 0
13.0877 -0.0669 -0.1484 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7529 1.0688 0.3306 C 0 0 2 0 0 0 0 0 0 0 0 0
14.5152 1.6687 -0.7969 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5713 2.3078 -1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3600 2.7980 -2.8728 O 0 0 0 0 0 0 0 0 0 0 0 0
15.3857 2.6937 -0.4365 O 0 0 0 0 0 0 0 0 0 0 0 0
16.3820 2.1093 0.3873 C 0 0 2 0 0 0 0 0 0 0 0 0
16.8341 0.9881 -0.2624 O 0 0 0 0 0 0 0 0 0 0 0 0
18.1490 1.0624 -0.6911 C 0 0 2 0 0 0 0 0 0 0 0 0
18.3462 0.7348 -2.1242 C 0 0 1 0 0 0 0 0 0 0 0 0
19.5279 1.5083 -2.7198 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2916 2.8635 -2.5151 O 0 0 0 0 0 0 0 0 0 0 0 0
18.5303 -0.6331 -2.3084 O 0 0 0 0 0 0 0 0 0 0 0 0
17.7156 -1.3499 -1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6543 -2.6721 -1.9140 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3752 -1.3005 -0.0702 C 0 0 2 0 0 0 0 0 0 0 0 0
17.5212 -1.5767 0.9828 O 0 0 0 0 0 0 0 0 0 0 0 0
18.9372 0.0826 0.1573 C 0 0 1 0 0 0 0 0 0 0 0 0
20.2913 0.0473 -0.1935 O 0 0 0 0 0 0 0 0 0 0 0 0
15.6704 1.8079 1.6774 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5211 1.5988 2.7382 O 0 0 0 0 0 0 0 0 0 0 0 0
14.6877 0.6711 1.4880 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9122 0.6722 2.6745 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2066 -1.2268 0.8682 C 0 0 2 0 0 0 0 0 0 0 0 0
12.1516 -2.2159 1.0744 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0589 -1.8226 0.0167 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5259 -2.8669 0.7665 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0129 -2.2822 -0.0410 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6629 -3.1237 -1.0077 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5929 -2.1438 -0.4182 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8759 -3.2713 0.0595 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 1.0564 -0.5080 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7327 1.7355 -1.6849 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0318 1.2394 -0.2080 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1371 1.3643 1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9920 0.2289 -0.6963 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1133 0.8401 -1.2955 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2588 0.4768 -0.6488 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1985 0.0127 -1.5109 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4637 -0.2258 -1.1235 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6388 -1.7582 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7357 -2.2861 -0.1578 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9270 0.4280 0.1181 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0309 1.2902 -0.1005 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2156 0.6983 0.3272 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.0029 0.2308 -0.7333 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.1720 -0.2890 -0.2321 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.0524 -1.5190 0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3234 -1.9545 1.0259 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0486 0.7394 0.4562 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.2620 0.8745 -0.1408 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.3666 0.8441 0.7190 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.9925 -0.4209 0.5872 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.2319 -0.3699 1.1761 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.2437 -0.0311 2.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.5277 -0.9629 3.3895 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.2071 0.4772 0.3849 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.0449 -0.3228 -0.3988 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.3860 -0.0878 -0.2461 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.9570 -1.2570 0.2617 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.9702 -2.2763 -0.6709 C 0 0 1 0 0 0 0 0 0 0 0 0
-19.1646 -3.6256 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.3740 -3.6249 0.6366 O 0 0 0 0 0 0 0 0 0 0 0 0
-20.1314 -2.0446 -1.5983 C 0 0 2 0 0 0 0 0 0 0 0 0
-19.8182 -2.6402 -2.8394 O 0 0 0 0 0 0 0 0 0 0 0 0
-20.3385 -0.5706 -1.7675 C 0 0 1 0 0 0 0 0 0 0 0 0
-21.3787 -0.0814 -0.9755 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.0718 0.2215 -1.5592 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.2248 -0.0780 -2.6418 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.3785 1.3802 -0.5259 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.1448 2.3504 -1.1401 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.2535 1.9747 0.3146 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.5423 2.9150 -0.4681 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2355 2.0526 0.3943 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.9171 2.9995 1.1286 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9543 1.6790 1.1830 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.2362 2.8012 1.5264 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9238 0.9903 1.0230 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2603 -0.0182 1.7811 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8420 1.6683 0.1592 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3442 2.5736 -0.7234 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3491 -4.0093 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0094 -2.1310 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4027 -2.4145 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8774 -0.7234 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5267 -0.8478 0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2531 -1.1323 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3850 1.1922 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7907 0.3069 2.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3686 1.1193 2.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7280 -1.5917 2.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1896 -0.9660 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7733 -0.5105 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1833 0.8778 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4405 1.9421 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8400 1.4964 1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5590 3.6326 -0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6458 0.8826 0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0400 1.8038 0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0719 0.8513 -1.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0100 3.1585 -1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8786 1.5856 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1693 2.2609 -2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1115 2.9045 0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0
18.6089 2.0557 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0
17.4841 1.0152 -2.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5177 1.3657 -3.8296 H 0 0 0 0 0 0 0 0 0 0 0 0
20.4852 1.2414 -2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
19.8467 3.1786 -1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
16.6646 -1.0053 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3038 -3.2295 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
19.1970 -2.0633 -0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
17.3440 -2.5645 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
18.8277 0.3796 1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
20.8481 -0.3221 0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0515 2.7105 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
17.0861 2.3812 2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1212 -0.2881 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4476 0.8713 3.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7323 -1.0036 1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9391 -2.1380 0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4995 -2.1107 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2535 -2.6013 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0350 -2.8837 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9553 -2.4762 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5250 -2.2235 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4564 -4.0640 -0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0169 1.5050 0.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9108 2.6691 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2973 2.2740 -0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6243 0.9134 1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3950 -0.3174 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9809 -0.2550 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1178 0.0566 -2.0135 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4632 -2.2108 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6733 -1.9274 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1856 -2.7590 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4043 -0.4317 0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9583 -0.2161 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7678 -0.6049 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5196 -1.2606 1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5411 -2.3502 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5541 -1.4227 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0609 0.5196 1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9929 0.9008 1.7474 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6405 -1.4289 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.3074 -0.1285 2.9787 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9512 0.9974 2.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.9984 -0.4733 4.0565 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.8266 1.1394 0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.6340 0.7031 0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.9936 -2.2837 -1.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.1773 -4.3838 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.3030 -3.7961 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.8102 -4.5091 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.0199 -2.5473 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.2543 -3.4573 -2.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.6241 -0.4043 -2.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.7844 0.7328 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.3568 1.2888 -1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8033 -0.2560 -3.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.9006 0.6844 -1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.8097 2.4665 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0
-14.7196 2.5255 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6479 2.5546 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9657 2.3198 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5655 3.9091 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3539 1.2528 2.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4120 3.5757 0.9358 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2403 1.7168 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7291 -0.1330 2.6479 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0491 2.0766 0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2377 3.5129 -0.5294 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
8 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
15 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
22 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
29 32 1 0
32 33 1 0
33 34 1 0
33 35 1 0
35 36 1 0
35 37 1 0
37 38 1 0
26 39 1 0
39 40 1 0
39 41 1 0
41 42 1 0
19 43 1 0
43 44 1 0
43 45 1 0
45 46 1 0
12 47 1 0
47 48 1 0
47 49 1 0
49 50 1 0
5 51 1 0
51 52 1 0
51 53 1 0
53 54 1 0
53 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
59 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
66 67 1 0
67 68 1 0
66 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
73 76 1 0
76 77 1 0
77 78 1 0
78 79 1 0
79 80 1 0
80 81 1 0
81 82 1 0
80 83 1 0
83 84 1 0
83 85 1 0
85 86 1 0
85 87 1 0
87 88 1 0
76 89 1 0
89 90 1 0
89 91 1 0
91 92 1 0
69 93 1 0
93 94 1 0
93 95 1 0
95 96 1 0
62 97 1 0
97 98 1 0
97 99 1 0
99100 1 0
55 3 1 0
99 57 1 0
49 7 1 0
95 64 1 0
45 14 1 0
91 71 1 0
41 21 1 0
87 78 1 0
37 28 1 0
1101 1 0
2102 1 0
2103 1 0
3104 1 6
5105 1 1
7106 1 1
8107 1 1
9108 1 0
9109 1 0
10110 1 0
12111 1 1
14112 1 1
15113 1 6
16114 1 0
16115 1 0
17116 1 0
19117 1 1
21118 1 1
22119 1 6
23120 1 0
23121 1 0
24122 1 0
26123 1 1
28124 1 6
29125 1 6
30126 1 0
30127 1 0
31128 1 0
33129 1 0
34130 1 0
35131 1 6
36132 1 0
37133 1 1
38134 1 0
39135 1 1
40136 1 0
41137 1 6
42138 1 0
43139 1 1
44140 1 0
45141 1 6
46142 1 0
47143 1 1
48144 1 0
49145 1 6
50146 1 0
51147 1 1
52148 1 0
53149 1 6
54150 1 0
55151 1 1
57152 1 1
59153 1 6
60154 1 0
60155 1 0
61156 1 0
62157 1 1
64158 1 1
66159 1 6
67160 1 0
67161 1 0
68162 1 0
69163 1 1
71164 1 1
73165 1 1
74166 1 0
74167 1 0
75168 1 0
76169 1 1
78170 1 1
80171 1 6
81172 1 0
81173 1 0
82174 1 0
83175 1 1
84176 1 0
85177 1 6
86178 1 0
87179 1 1
88180 1 0
89181 1 6
90182 1 0
91183 1 1
92184 1 0
93185 1 6
94186 1 0
95187 1 1
96188 1 0
97189 1 1
98190 1 0
99191 1 1
100192 1 0
M END
3D SDF for HMDB0013001 (Maltononaose)
Mrv0541 02251208142D
100108 0 0 1 0 999 V2000
10.8195 -15.7710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.6445 -15.7710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4070 -16.4854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0570 -16.4854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.8195 -17.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5820 -16.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6445 -17.1999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8820 -16.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4070 -17.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0570 -17.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2945 -17.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0104 -12.5902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.8355 -12.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5979 -13.3047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2480 -13.3047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.0104 -14.0192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7729 -13.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8355 -14.0192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0730 -13.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5979 -14.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2480 -14.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4855 -14.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2608 -6.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.0858 -6.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.8483 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8483 -7.4449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.4983 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4983 -6.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0233 -6.0160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.2608 -8.1594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.0233 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0858 -8.1594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.0858 -5.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6108 -6.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6108 -5.3015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.8483 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4983 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7858 -6.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7858 -5.3015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0233 -4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3233 -8.8739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
9.3733 -6.0160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3733 -7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3733 -4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.7358 -8.1594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.7358 -9.5884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5483 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7858 -8.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.5608 -8.1594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3233 -7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5608 -9.5884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.3233 -10.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1358 -6.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.9733 -8.8739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.7358 -6.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9733 -10.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5483 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3107 -6.7304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7983 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1358 -8.1594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8982 -7.4449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8982 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2108 -8.1594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3107 -8.1594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5483 -8.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0732 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7983 -7.4449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.0358 -8.1594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8982 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3733 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2108 -6.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9733 -7.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4483 -7.4449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.4483 -8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3107 -9.5884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.0358 -6.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
15.5608 -6.7304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.2734 -7.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1358 -9.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8982 -10.3029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.4483 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5483 -10.3029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3107 -11.0173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0732 -10.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.0358 -5.3015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1358 -11.0173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3733 -10.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8982 -11.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2108 -5.3015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.4483 -4.5870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5483 -11.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7858 -11.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7983 -4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7983 -6.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0358 -3.8726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
19.2734 -4.5870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.2108 -3.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9733 -6.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.4483 -3.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.7983 -3.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
2 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 6 0 0 0
4 7 1 0 0 0 0
4 8 1 1 0 0 0
5 9 1 1 0 0 0
7 10 1 6 0 0 0
8 11 1 0 0 0 0
5 7 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 6 0 0 0
15 18 1 0 0 0 0
15 19 1 1 0 0 0
16 20 1 1 0 0 0
18 21 1 6 0 0 0
19 22 1 0 0 0 0
16 18 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 6 0 0 0
23 26 1 0 0 0 0
24 27 1 0 0 0 0
24 28 1 1 0 0 0
29 25 1 6 0 0 0
26 30 1 0 0 0 0
26 31 1 1 0 0 0
27 32 1 0 0 0 0
28 33 1 0 0 0 0
29 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 6 0 0 0
32 37 1 6 0 0 0
34 38 1 0 0 0 0
35 39 1 0 0 0 0
35 40 1 6 0 0 0
41 37 1 6 0 0 0
38 42 1 0 0 0 0
38 43 1 1 0 0 0
39 44 1 1 0 0 0
41 45 1 0 0 0 0
41 46 1 0 0 0 0
42 47 1 6 0 0 0
43 48 1 0 0 0 0
45 49 1 0 0 0 0
45 50 1 1 0 0 0
46 51 1 0 0 0 0
46 52 1 1 0 0 0
53 47 1 6 0 0 0
49 54 1 0 0 0 0
50 55 1 0 0 0 0
51 56 1 6 0 0 0
53 57 1 0 0 0 0
53 58 1 0 0 0 0
54 59 1 6 0 0 0
57 60 1 0 0 0 0
58 61 1 0 0 0 0
58 62 1 6 0 0 0
63 59 1 6 0 0 0
60 64 1 0 0 0 0
60 65 1 1 0 0 0
61 66 1 1 0 0 0
63 67 1 0 0 0 0
63 68 1 0 0 0 0
64 69 1 6 0 0 0
65 70 1 0 0 0 0
67 71 1 0 0 0 0
67 72 1 1 0 0 0
68 73 1 0 0 0 0
68 74 1 1 0 0 0
75 69 1 6 0 0 0
71 76 1 0 0 0 0
72 77 1 0 0 0 0
73 78 1 6 0 0 0
75 79 1 0 0 0 0
75 80 1 0 0 0 0
76 81 1 6 0 0 0
79 82 1 0 0 0 0
80 83 1 0 0 0 0
80 84 1 6 0 0 0
85 81 1 6 0 0 0
82 86 1 0 0 0 0
82 87 1 1 0 0 0
83 88 1 1 0 0 0
85 89 1 0 0 0 0
85 90 1 0 0 0 0
86 91 1 6 0 0 0
87 92 1 0 0 0 0
89 93 1 0 0 0 0
89 94 1 1 0 0 0
90 95 1 0 0 0 0
90 96 1 1 0 0 0
93 97 1 0 0 0 0
94 98 1 0 0 0 0
95 99 1 6 0 0 0
97100 1 0 0 0 0
30 32 1 0 0 0 0
39 42 1 0 0 0 0
51 54 1 0 0 0 0
61 64 1 0 0 0 0
73 76 1 0 0 0 0
83 86 1 0 0 0 0
95 97 1 0 0 0 0
12 91 1 6 0 0 0
1 21 1 6 0 0 0
M END
> <DATABASE_ID>
HMDB0013001
> <DATABASE_NAME>
hmdb
> <SMILES>
OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)C(O)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@H]5CO)O[C@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O
> <INCHI_IDENTIFIER>
InChI=1S/C54H92O46/c55-1-10-19(64)20(65)30(75)47(85-10)94-39-12(3-57)87-49(32(77)22(39)67)96-41-14(5-59)89-51(34(79)24(41)69)98-43-16(7-61)91-53(36(81)26(43)71)100-45-18(9-63)92-54(37(82)28(45)73)99-44-17(8-62)90-52(35(80)27(44)72)97-42-15(6-60)88-50(33(78)25(42)70)95-40-13(4-58)86-48(31(76)23(40)68)93-38-11(2-56)84-46(83)29(74)21(38)66/h10-83H,1-9H2/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,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-/m0/s1
> <INCHI_KEY>
KEFAHNNQIPSIMC-WMKZAYDFSA-N
> <FORMULA>
C54H92O46
> <MOLECULAR_WEIGHT>
1477.2807
> <EXACT_MASS>
1476.485975556
> <JCHEM_ACCEPTOR_COUNT>
46
> <JCHEM_AVERAGE_POLARIZABILITY>
139.05542492584493
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
29
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S,3S,4R,5R,6S)-2-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
> <ALOGPS_LOGP>
-2.32
> <JCHEM_LOGP>
-17.099224383333333
> <ALOGPS_LOGS>
-0.60
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
9
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.640739972227841
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.131159730645953
> <JCHEM_PKA_STRONGEST_BASIC>
-3.947988065878426
> <JCHEM_POLAR_SURFACE_AREA>
743.5800000000005
> <JCHEM_REFRACTIVITY>
295.2298
> <JCHEM_ROTATABLE_BOND_COUNT>
25
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
3.69e+02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4R,5R,6S)-2-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0013001 (Maltononaose)HMDB0013001
RDKit 3D
Maltononaose
192200 0 0 0 0 0 0 0 0999 V2000
-0.5204 -3.1445 -2.0244 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.9138 -0.8913 -1.6420 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7340 -0.4578 -0.6551 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0819 -0.4453 -1.0168 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9431 -0.8773 -0.0184 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8442 0.2227 0.4708 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8498 0.2204 1.9782 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3927 -0.8750 2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0811 0.1640 -0.1281 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7367 -1.0394 0.1565 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8680 -1.0158 -0.7107 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0230 -0.7211 -0.0475 C 0 0 2 0 0 0 0 0 0 0 0 0
9.6715 0.5565 -0.5910 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5482 1.7039 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1391 2.8296 -0.1804 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 0.2587 -0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7612 -0.0025 0.2268 C 0 0 2 0 0 0 0 0 0 0 0 0
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11.2066 -1.2268 0.8682 C 0 0 2 0 0 0 0 0 0 0 0 0
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10.0589 -1.8226 0.0167 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5259 -2.8669 0.7665 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0129 -2.2822 -0.0410 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6629 -3.1237 -1.0077 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5929 -2.1438 -0.4182 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8759 -3.2713 0.0595 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 1.0564 -0.5080 C 0 0 1 0 0 0 0 0 0 0 0 0
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-5.9270 0.4280 0.1181 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.0309 1.2902 -0.1005 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2156 0.6983 0.3272 C 0 0 2 0 0 0 0 0 0 0 0 0
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-10.0524 -1.5190 0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.3234 -1.9545 1.0259 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.0486 0.7394 0.4562 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.2620 0.8745 -0.1408 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.3666 0.8441 0.7190 C 0 0 2 0 0 0 0 0 0 0 0 0
-13.9925 -0.4209 0.5872 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.2319 -0.3699 1.1761 C 0 0 1 0 0 0 0 0 0 0 0 0
-15.2437 -0.0311 2.6369 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.5277 -0.9629 3.3895 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.2071 0.4772 0.3849 C 0 0 2 0 0 0 0 0 0 0 0 0
-17.0449 -0.3228 -0.3988 O 0 0 0 0 0 0 0 0 0 0 0 0
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-18.9570 -1.2570 0.2617 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.9702 -2.2763 -0.6709 C 0 0 1 0 0 0 0 0 0 0 0 0
-19.1646 -3.6256 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.3740 -3.6249 0.6366 O 0 0 0 0 0 0 0 0 0 0 0 0
-20.1314 -2.0446 -1.5983 C 0 0 2 0 0 0 0 0 0 0 0 0
-19.8182 -2.6402 -2.8394 O 0 0 0 0 0 0 0 0 0 0 0 0
-20.3385 -0.5706 -1.7675 C 0 0 1 0 0 0 0 0 0 0 0 0
-21.3787 -0.0814 -0.9755 O 0 0 0 0 0 0 0 0 0 0 0 0
-19.0718 0.2215 -1.5592 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.2248 -0.0780 -2.6418 O 0 0 0 0 0 0 0 0 0 0 0 0
-15.3785 1.3802 -0.5259 C 0 0 1 0 0 0 0 0 0 0 0 0
-16.1448 2.3504 -1.1401 O 0 0 0 0 0 0 0 0 0 0 0 0
-14.2535 1.9747 0.3146 C 0 0 2 0 0 0 0 0 0 0 0 0
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-10.2355 2.0526 0.3943 C 0 0 1 0 0 0 0 0 0 0 0 0
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-4.2603 -0.0182 1.7811 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8420 1.6683 0.1592 C 0 0 2 0 0 0 0 0 0 0 0 0
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4.3850 1.1922 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7907 0.3069 2.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3686 1.1193 2.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.1896 -0.9660 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7733 -0.5105 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
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8.4405 1.9421 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8400 1.4964 1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5590 3.6326 -0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6458 0.8826 0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0400 1.8038 0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.7323 -1.0036 1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0
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21118 1 1
22119 1 6
23120 1 0
23121 1 0
24122 1 0
26123 1 1
28124 1 6
29125 1 6
30126 1 0
30127 1 0
31128 1 0
33129 1 0
34130 1 0
35131 1 6
36132 1 0
37133 1 1
38134 1 0
39135 1 1
40136 1 0
41137 1 6
42138 1 0
43139 1 1
44140 1 0
45141 1 6
46142 1 0
47143 1 1
48144 1 0
49145 1 6
50146 1 0
51147 1 1
52148 1 0
53149 1 6
54150 1 0
55151 1 1
57152 1 1
59153 1 6
60154 1 0
60155 1 0
61156 1 0
62157 1 1
64158 1 1
66159 1 6
67160 1 0
67161 1 0
68162 1 0
69163 1 1
71164 1 1
73165 1 1
74166 1 0
74167 1 0
75168 1 0
76169 1 1
78170 1 1
80171 1 6
81172 1 0
81173 1 0
82174 1 0
83175 1 1
84176 1 0
85177 1 6
86178 1 0
87179 1 1
88180 1 0
89181 1 6
90182 1 0
91183 1 1
92184 1 0
93185 1 6
94186 1 0
95187 1 1
96188 1 0
97189 1 1
98190 1 0
99191 1 1
100192 1 0
M END
PDB for HMDB0013001 (Maltononaose)HEADER PROTEIN 25-FEB-12 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 25-FEB-12 0 HETATM 1 C UNK 0 20.196 -29.439 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 21.736 -29.439 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 19.426 -30.773 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 22.506 -30.773 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 20.196 -32.106 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 17.886 -30.773 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 21.736 -32.106 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 24.046 -30.773 0.000 0.00 0.00 C+0 HETATM 9 O UNK 0 19.426 -33.440 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 22.506 -33.440 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 24.816 -32.106 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 16.819 -23.502 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 18.360 -23.502 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 16.049 -24.835 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 19.130 -24.835 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 16.819 -26.169 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 14.509 -24.835 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 18.360 -26.169 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 20.670 -24.835 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 16.049 -27.503 0.000 0.00 0.00 O+0 HETATM 21 O UNK 0 19.130 -27.503 0.000 0.00 0.00 O+0 HETATM 22 O UNK 0 21.440 -26.169 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 22.887 -12.563 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 24.427 -12.563 0.000 0.00 0.00 C+0 HETATM 25 O UNK 0 22.117 -11.230 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 22.117 -13.897 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 25.197 -13.897 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 25.197 -11.230 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 20.577 -11.230 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 22.887 -15.231 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 20.577 -13.897 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 24.427 -15.231 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 24.427 -9.896 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 19.807 -12.563 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 19.807 -9.896 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 22.117 -16.565 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 25.197 -16.565 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 18.267 -12.563 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 18.267 -9.896 0.000 0.00 0.00 C+0 HETATM 40 O UNK 0 20.577 -8.562 0.000 0.00 0.00 O+0 HETATM 41 C UNK 0 26.737 -16.565 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 17.497 -11.230 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 17.497 -13.897 0.000 0.00 0.00 C+0 HETATM 44 O UNK 0 17.497 -8.562 0.000 0.00 0.00 O+0 HETATM 45 C UNK 0 27.507 -15.231 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 27.507 -17.898 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 15.957 -11.230 0.000 0.00 0.00 O+0 HETATM 48 O UNK 0 18.267 -15.231 0.000 0.00 0.00 O+0 HETATM 49 O UNK 0 29.047 -15.231 0.000 0.00 0.00 O+0 HETATM 50 C UNK 0 26.737 -13.897 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 29.047 -17.898 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 26.737 -19.232 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 15.187 -12.563 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 29.817 -16.565 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 27.507 -12.563 0.000 0.00 0.00 O+0 HETATM 56 O UNK 0 29.817 -19.232 0.000 0.00 0.00 O+0 HETATM 57 O UNK 0 15.957 -13.897 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 13.647 -12.563 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 31.357 -16.565 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 15.187 -15.231 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 12.877 -13.897 0.000 0.00 0.00 C+0 HETATM 62 O UNK 0 12.877 -11.230 0.000 0.00 0.00 O+0 HETATM 63 C UNK 0 32.127 -15.231 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 13.647 -15.231 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 15.957 -16.565 0.000 0.00 0.00 C+0 HETATM 66 O UNK 0 11.337 -13.897 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 31.357 -13.897 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 33.667 -15.231 0.000 0.00 0.00 C+0 HETATM 69 O UNK 0 12.877 -16.565 0.000 0.00 0.00 O+0 HETATM 70 O UNK 0 17.497 -16.565 0.000 0.00 0.00 O+0 HETATM 71 O UNK 0 32.127 -12.563 0.000 0.00 0.00 O+0 HETATM 72 C UNK 0 29.817 -13.897 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 34.437 -13.897 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 34.437 -16.565 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 13.647 -17.898 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 33.667 -12.563 0.000 0.00 0.00 C+0 HETATM 77 O UNK 0 29.047 -12.563 0.000 0.00 0.00 O+0 HETATM 78 O UNK 0 35.977 -13.897 0.000 0.00 0.00 O+0 HETATM 79 O UNK 0 15.187 -17.898 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 12.877 -19.232 0.000 0.00 0.00 C+0 HETATM 81 O UNK 0 34.437 -11.230 0.000 0.00 0.00 O+0 HETATM 82 C UNK 0 15.957 -19.232 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 13.647 -20.566 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 11.337 -19.232 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 33.667 -9.896 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 15.187 -20.566 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 17.497 -19.232 0.000 0.00 0.00 C+0 HETATM 88 O UNK 0 12.877 -21.899 0.000 0.00 0.00 O+0 HETATM 89 C UNK 0 32.127 -9.896 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 34.437 -8.562 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 15.957 -21.899 0.000 0.00 0.00 O+0 HETATM 92 O UNK 0 18.267 -20.566 0.000 0.00 0.00 O+0 HETATM 93 O UNK 0 31.357 -8.562 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 31.357 -11.230 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 33.667 -7.229 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 35.977 -8.562 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 32.127 -7.229 0.000 0.00 0.00 C+0 HETATM 98 O UNK 0 29.817 -11.230 0.000 0.00 0.00 O+0 HETATM 99 O UNK 0 34.437 -5.895 0.000 0.00 0.00 O+0 HETATM 100 O UNK 0 31.357 -5.895 0.000 0.00 0.00 O+0 CONECT 1 2 3 21 CONECT 2 1 4 CONECT 3 1 5 6 CONECT 4 2 7 8 CONECT 5 3 9 7 CONECT 6 3 CONECT 7 4 10 5 CONECT 8 4 11 CONECT 9 5 CONECT 10 7 CONECT 11 8 CONECT 12 13 14 91 CONECT 13 12 15 CONECT 14 12 16 17 CONECT 15 13 18 19 CONECT 16 14 20 18 CONECT 17 14 CONECT 18 15 21 16 CONECT 19 15 22 CONECT 20 16 CONECT 21 18 1 CONECT 22 19 CONECT 23 24 25 26 CONECT 24 23 27 28 CONECT 25 23 29 CONECT 26 23 30 31 CONECT 27 24 32 CONECT 28 24 33 CONECT 29 25 34 35 CONECT 30 26 36 32 CONECT 31 26 CONECT 32 27 37 30 CONECT 33 28 CONECT 34 29 38 CONECT 35 29 39 40 CONECT 36 30 CONECT 37 32 41 CONECT 38 34 42 43 CONECT 39 35 44 42 CONECT 40 35 CONECT 41 37 45 46 CONECT 42 38 47 39 CONECT 43 38 48 CONECT 44 39 CONECT 45 41 49 50 CONECT 46 41 51 52 CONECT 47 42 53 CONECT 48 43 CONECT 49 45 54 CONECT 50 45 55 CONECT 51 46 56 54 CONECT 52 46 CONECT 53 47 57 58 CONECT 54 49 59 51 CONECT 55 50 CONECT 56 51 CONECT 57 53 60 CONECT 58 53 61 62 CONECT 59 54 63 CONECT 60 57 64 65 CONECT 61 58 66 64 CONECT 62 58 CONECT 63 59 67 68 CONECT 64 60 69 61 CONECT 65 60 70 CONECT 66 61 CONECT 67 63 71 72 CONECT 68 63 73 74 CONECT 69 64 75 CONECT 70 65 CONECT 71 67 76 CONECT 72 67 77 CONECT 73 68 78 76 CONECT 74 68 CONECT 75 69 79 80 CONECT 76 71 81 73 CONECT 77 72 CONECT 78 73 CONECT 79 75 82 CONECT 80 75 83 84 CONECT 81 76 85 CONECT 82 79 86 87 CONECT 83 80 88 86 CONECT 84 80 CONECT 85 81 89 90 CONECT 86 82 91 83 CONECT 87 82 92 CONECT 88 83 CONECT 89 85 93 94 CONECT 90 85 95 96 CONECT 91 86 12 CONECT 92 87 CONECT 93 89 97 CONECT 94 89 98 CONECT 95 90 99 97 CONECT 96 90 CONECT 97 93 100 95 CONECT 98 94 CONECT 99 95 CONECT 100 97 MASTER 0 0 0 0 0 0 0 0 100 0 216 0 END 3D PDB for HMDB0013001 (Maltononaose)COMPND HMDB0013001 HETATM 1 O1 UNL 1 -0.520 -3.145 -2.024 1.00 0.00 O HETATM 2 C1 UNL 1 -0.926 -2.176 -1.107 1.00 0.00 C HETATM 3 C2 UNL 1 -0.403 -0.791 -1.600 1.00 0.00 C HETATM 4 O2 UNL 1 0.914 -0.891 -1.642 1.00 0.00 O HETATM 5 C3 UNL 1 1.734 -0.458 -0.655 1.00 0.00 C HETATM 6 O3 UNL 1 3.082 -0.445 -1.017 1.00 0.00 O HETATM 7 C4 UNL 1 3.943 -0.877 -0.018 1.00 0.00 C HETATM 8 C5 UNL 1 4.844 0.223 0.471 1.00 0.00 C HETATM 9 C6 UNL 1 4.850 0.220 1.978 1.00 0.00 C HETATM 10 O4 UNL 1 5.393 -0.875 2.585 1.00 0.00 O HETATM 11 O5 UNL 1 6.081 0.164 -0.128 1.00 0.00 O HETATM 12 C7 UNL 1 6.737 -1.039 0.157 1.00 0.00 C HETATM 13 O6 UNL 1 7.868 -1.016 -0.711 1.00 0.00 O HETATM 14 C8 UNL 1 9.023 -0.721 -0.048 1.00 0.00 C HETATM 15 C9 UNL 1 9.671 0.556 -0.591 1.00 0.00 C HETATM 16 C10 UNL 1 9.548 1.704 0.377 1.00 0.00 C HETATM 17 O7 UNL 1 10.139 2.830 -0.180 1.00 0.00 O HETATM 18 O8 UNL 1 10.999 0.259 -0.927 1.00 0.00 O HETATM 19 C11 UNL 1 11.761 -0.003 0.227 1.00 0.00 C HETATM 20 O9 UNL 1 13.088 -0.067 -0.148 1.00 0.00 O HETATM 21 C12 UNL 1 13.753 1.069 0.331 1.00 0.00 C HETATM 22 C13 UNL 1 14.515 1.669 -0.797 1.00 0.00 C HETATM 23 C14 UNL 1 13.571 2.308 -1.814 1.00 0.00 C HETATM 24 O10 UNL 1 14.360 2.798 -2.873 1.00 0.00 O HETATM 25 O11 UNL 1 15.386 2.694 -0.437 1.00 0.00 O HETATM 26 C15 UNL 1 16.382 2.109 0.387 1.00 0.00 C HETATM 27 O12 UNL 1 16.834 0.988 -0.262 1.00 0.00 O HETATM 28 C16 UNL 1 18.149 1.062 -0.691 1.00 0.00 C HETATM 29 C17 UNL 1 18.346 0.735 -2.124 1.00 0.00 C HETATM 30 C18 UNL 1 19.528 1.508 -2.720 1.00 0.00 C HETATM 31 O13 UNL 1 19.292 2.864 -2.515 1.00 0.00 O HETATM 32 O14 UNL 1 18.530 -0.633 -2.308 1.00 0.00 O HETATM 33 C19 UNL 1 17.716 -1.350 -1.421 1.00 0.00 C HETATM 34 O15 UNL 1 17.654 -2.672 -1.914 1.00 0.00 O HETATM 35 C20 UNL 1 18.375 -1.300 -0.070 1.00 0.00 C HETATM 36 O16 UNL 1 17.521 -1.577 0.983 1.00 0.00 O HETATM 37 C21 UNL 1 18.937 0.083 0.157 1.00 0.00 C HETATM 38 O17 UNL 1 20.291 0.047 -0.194 1.00 0.00 O HETATM 39 C22 UNL 1 15.670 1.808 1.677 1.00 0.00 C HETATM 40 O18 UNL 1 16.521 1.599 2.738 1.00 0.00 O HETATM 41 C23 UNL 1 14.688 0.671 1.488 1.00 0.00 C HETATM 42 O19 UNL 1 13.912 0.672 2.674 1.00 0.00 O HETATM 43 C24 UNL 1 11.207 -1.227 0.868 1.00 0.00 C HETATM 44 O20 UNL 1 12.152 -2.216 1.074 1.00 0.00 O HETATM 45 C25 UNL 1 10.059 -1.823 0.017 1.00 0.00 C HETATM 46 O21 UNL 1 9.526 -2.867 0.767 1.00 0.00 O HETATM 47 C26 UNL 1 6.013 -2.282 -0.041 1.00 0.00 C HETATM 48 O22 UNL 1 6.663 -3.124 -1.008 1.00 0.00 O HETATM 49 C27 UNL 1 4.593 -2.144 -0.418 1.00 0.00 C HETATM 50 O23 UNL 1 3.876 -3.271 0.059 1.00 0.00 O HETATM 51 C28 UNL 1 1.408 1.056 -0.508 1.00 0.00 C HETATM 52 O24 UNL 1 1.733 1.735 -1.685 1.00 0.00 O HETATM 53 C29 UNL 1 -0.032 1.239 -0.208 1.00 0.00 C HETATM 54 O25 UNL 1 -0.137 1.364 1.209 1.00 0.00 O HETATM 55 C30 UNL 1 -0.992 0.229 -0.696 1.00 0.00 C HETATM 56 O26 UNL 1 -2.113 0.840 -1.295 1.00 0.00 O HETATM 57 C31 UNL 1 -3.259 0.477 -0.649 1.00 0.00 C HETATM 58 O27 UNL 1 -4.199 0.013 -1.511 1.00 0.00 O HETATM 59 C32 UNL 1 -5.464 -0.226 -1.123 1.00 0.00 C HETATM 60 C33 UNL 1 -5.639 -1.758 -1.069 1.00 0.00 C HETATM 61 O28 UNL 1 -4.736 -2.286 -0.158 1.00 0.00 O HETATM 62 C34 UNL 1 -5.927 0.428 0.118 1.00 0.00 C HETATM 63 O29 UNL 1 -7.031 1.290 -0.101 1.00 0.00 O HETATM 64 C35 UNL 1 -8.216 0.698 0.327 1.00 0.00 C HETATM 65 O30 UNL 1 -9.003 0.231 -0.733 1.00 0.00 O HETATM 66 C36 UNL 1 -10.172 -0.289 -0.232 1.00 0.00 C HETATM 67 C37 UNL 1 -10.052 -1.519 0.597 1.00 0.00 C HETATM 68 O31 UNL 1 -11.323 -1.955 1.026 1.00 0.00 O HETATM 69 C38 UNL 1 -11.049 0.739 0.456 1.00 0.00 C HETATM 70 O32 UNL 1 -12.262 0.874 -0.141 1.00 0.00 O HETATM 71 C39 UNL 1 -13.367 0.844 0.719 1.00 0.00 C HETATM 72 O33 UNL 1 -13.993 -0.421 0.587 1.00 0.00 O HETATM 73 C40 UNL 1 -15.232 -0.370 1.176 1.00 0.00 C HETATM 74 C41 UNL 1 -15.244 -0.031 2.637 1.00 0.00 C HETATM 75 O34 UNL 1 -14.528 -0.963 3.389 1.00 0.00 O HETATM 76 C42 UNL 1 -16.207 0.477 0.385 1.00 0.00 C HETATM 77 O35 UNL 1 -17.045 -0.323 -0.399 1.00 0.00 O HETATM 78 C43 UNL 1 -18.386 -0.088 -0.246 1.00 0.00 C HETATM 79 O36 UNL 1 -18.957 -1.257 0.262 1.00 0.00 O HETATM 80 C44 UNL 1 -18.970 -2.276 -0.671 1.00 0.00 C HETATM 81 C45 UNL 1 -19.165 -3.626 -0.033 1.00 0.00 C HETATM 82 O37 UNL 1 -20.374 -3.625 0.637 1.00 0.00 O HETATM 83 C46 UNL 1 -20.131 -2.045 -1.598 1.00 0.00 C HETATM 84 O38 UNL 1 -19.818 -2.640 -2.839 1.00 0.00 O HETATM 85 C47 UNL 1 -20.339 -0.571 -1.767 1.00 0.00 C HETATM 86 O39 UNL 1 -21.379 -0.081 -0.975 1.00 0.00 O HETATM 87 C48 UNL 1 -19.072 0.222 -1.559 1.00 0.00 C HETATM 88 O40 UNL 1 -18.225 -0.078 -2.642 1.00 0.00 O HETATM 89 C49 UNL 1 -15.378 1.380 -0.526 1.00 0.00 C HETATM 90 O41 UNL 1 -16.145 2.350 -1.140 1.00 0.00 O HETATM 91 C50 UNL 1 -14.254 1.975 0.315 1.00 0.00 C HETATM 92 O42 UNL 1 -13.542 2.915 -0.468 1.00 0.00 O HETATM 93 C51 UNL 1 -10.236 2.053 0.394 1.00 0.00 C HETATM 94 O43 UNL 1 -10.917 3.000 1.129 1.00 0.00 O HETATM 95 C52 UNL 1 -8.954 1.679 1.183 1.00 0.00 C HETATM 96 O44 UNL 1 -8.236 2.801 1.526 1.00 0.00 O HETATM 97 C53 UNL 1 -4.924 0.990 1.023 1.00 0.00 C HETATM 98 O45 UNL 1 -4.260 -0.018 1.781 1.00 0.00 O HETATM 99 C54 UNL 1 -3.842 1.668 0.159 1.00 0.00 C HETATM 100 O46 UNL 1 -4.344 2.574 -0.723 1.00 0.00 O HETATM 101 H1 UNL 1 -0.349 -4.009 -1.564 1.00 0.00 H HETATM 102 H2 UNL 1 -2.009 -2.131 -0.949 1.00 0.00 H HETATM 103 H3 UNL 1 -0.403 -2.414 -0.152 1.00 0.00 H HETATM 104 H4 UNL 1 -0.877 -0.723 -2.642 1.00 0.00 H HETATM 105 H5 UNL 1 1.527 -0.848 0.336 1.00 0.00 H HETATM 106 H6 UNL 1 3.253 -1.132 0.844 1.00 0.00 H HETATM 107 H7 UNL 1 4.385 1.192 0.169 1.00 0.00 H HETATM 108 H8 UNL 1 3.791 0.307 2.349 1.00 0.00 H HETATM 109 H9 UNL 1 5.369 1.119 2.420 1.00 0.00 H HETATM 110 H10 UNL 1 4.728 -1.592 2.780 1.00 0.00 H HETATM 111 H11 UNL 1 7.190 -0.966 1.174 1.00 0.00 H HETATM 112 H12 UNL 1 8.773 -0.511 1.018 1.00 0.00 H HETATM 113 H13 UNL 1 9.183 0.878 -1.549 1.00 0.00 H HETATM 114 H14 UNL 1 8.440 1.942 0.416 1.00 0.00 H HETATM 115 H15 UNL 1 9.840 1.496 1.403 1.00 0.00 H HETATM 116 H16 UNL 1 9.559 3.633 -0.128 1.00 0.00 H HETATM 117 H17 UNL 1 11.646 0.883 0.925 1.00 0.00 H HETATM 118 H18 UNL 1 13.040 1.804 0.759 1.00 0.00 H HETATM 119 H19 UNL 1 15.072 0.851 -1.338 1.00 0.00 H HETATM 120 H20 UNL 1 13.010 3.159 -1.405 1.00 0.00 H HETATM 121 H21 UNL 1 12.879 1.586 -2.245 1.00 0.00 H HETATM 122 H22 UNL 1 15.169 2.261 -2.985 1.00 0.00 H HETATM 123 H23 UNL 1 17.111 2.905 0.534 1.00 0.00 H HETATM 124 H24 UNL 1 18.609 2.056 -0.454 1.00 0.00 H HETATM 125 H25 UNL 1 17.484 1.015 -2.772 1.00 0.00 H HETATM 126 H26 UNL 1 19.518 1.366 -3.830 1.00 0.00 H HETATM 127 H27 UNL 1 20.485 1.241 -2.279 1.00 0.00 H HETATM 128 H28 UNL 1 19.847 3.179 -1.772 1.00 0.00 H HETATM 129 H29 UNL 1 16.665 -1.005 -1.436 1.00 0.00 H HETATM 130 H30 UNL 1 17.304 -3.230 -1.155 1.00 0.00 H HETATM 131 H31 UNL 1 19.197 -2.063 -0.074 1.00 0.00 H HETATM 132 H32 UNL 1 17.344 -2.565 1.052 1.00 0.00 H HETATM 133 H33 UNL 1 18.828 0.380 1.228 1.00 0.00 H HETATM 134 H34 UNL 1 20.848 -0.322 0.538 1.00 0.00 H HETATM 135 H35 UNL 1 15.051 2.711 1.910 1.00 0.00 H HETATM 136 H36 UNL 1 17.086 2.381 2.906 1.00 0.00 H HETATM 137 H37 UNL 1 15.121 -0.288 1.247 1.00 0.00 H HETATM 138 H38 UNL 1 14.448 0.871 3.463 1.00 0.00 H HETATM 139 H39 UNL 1 10.732 -1.004 1.856 1.00 0.00 H HETATM 140 H40 UNL 1 12.939 -2.138 0.447 1.00 0.00 H HETATM 141 H41 UNL 1 10.500 -2.111 -0.935 1.00 0.00 H HETATM 142 H42 UNL 1 9.254 -2.601 1.660 1.00 0.00 H HETATM 143 H43 UNL 1 6.035 -2.884 0.931 1.00 0.00 H HETATM 144 H44 UNL 1 6.955 -2.476 -1.713 1.00 0.00 H HETATM 145 H45 UNL 1 4.525 -2.224 -1.542 1.00 0.00 H HETATM 146 H46 UNL 1 4.456 -4.064 -0.141 1.00 0.00 H HETATM 147 H47 UNL 1 2.017 1.505 0.297 1.00 0.00 H HETATM 148 H48 UNL 1 1.911 2.669 -1.435 1.00 0.00 H HETATM 149 H49 UNL 1 -0.297 2.274 -0.563 1.00 0.00 H HETATM 150 H50 UNL 1 0.624 0.913 1.663 1.00 0.00 H HETATM 151 H51 UNL 1 -1.395 -0.317 0.212 1.00 0.00 H HETATM 152 H52 UNL 1 -2.981 -0.255 0.168 1.00 0.00 H HETATM 153 H53 UNL 1 -6.118 0.057 -2.013 1.00 0.00 H HETATM 154 H54 UNL 1 -5.463 -2.211 -2.050 1.00 0.00 H HETATM 155 H55 UNL 1 -6.673 -1.927 -0.754 1.00 0.00 H HETATM 156 H56 UNL 1 -5.186 -2.759 0.590 1.00 0.00 H HETATM 157 H57 UNL 1 -6.404 -0.432 0.705 1.00 0.00 H HETATM 158 H58 UNL 1 -7.958 -0.216 0.880 1.00 0.00 H HETATM 159 H59 UNL 1 -10.768 -0.605 -1.152 1.00 0.00 H HETATM 160 H60 UNL 1 -9.520 -1.261 1.547 1.00 0.00 H HETATM 161 H61 UNL 1 -9.541 -2.350 0.108 1.00 0.00 H HETATM 162 H62 UNL 1 -11.554 -1.423 1.834 1.00 0.00 H HETATM 163 H63 UNL 1 -11.061 0.520 1.543 1.00 0.00 H HETATM 164 H64 UNL 1 -12.993 0.901 1.747 1.00 0.00 H HETATM 165 H65 UNL 1 -15.641 -1.429 1.098 1.00 0.00 H HETATM 166 H66 UNL 1 -16.307 -0.129 2.979 1.00 0.00 H HETATM 167 H67 UNL 1 -14.951 0.997 2.840 1.00 0.00 H HETATM 168 H68 UNL 1 -13.998 -0.473 4.057 1.00 0.00 H HETATM 169 H69 UNL 1 -16.827 1.139 0.997 1.00 0.00 H HETATM 170 H70 UNL 1 -18.634 0.703 0.474 1.00 0.00 H HETATM 171 H71 UNL 1 -17.994 -2.284 -1.196 1.00 0.00 H HETATM 172 H72 UNL 1 -19.177 -4.384 -0.848 1.00 0.00 H HETATM 173 H73 UNL 1 -18.303 -3.796 0.652 1.00 0.00 H HETATM 174 H74 UNL 1 -20.810 -4.509 0.691 1.00 0.00 H HETATM 175 H75 UNL 1 -21.020 -2.547 -1.180 1.00 0.00 H HETATM 176 H76 UNL 1 -19.254 -3.457 -2.711 1.00 0.00 H HETATM 177 H77 UNL 1 -20.624 -0.404 -2.846 1.00 0.00 H HETATM 178 H78 UNL 1 -21.784 0.733 -1.409 1.00 0.00 H HETATM 179 H79 UNL 1 -19.357 1.289 -1.580 1.00 0.00 H HETATM 180 H80 UNL 1 -18.803 -0.256 -3.415 1.00 0.00 H HETATM 181 H81 UNL 1 -14.901 0.684 -1.263 1.00 0.00 H HETATM 182 H82 UNL 1 -15.810 2.467 -2.064 1.00 0.00 H HETATM 183 H83 UNL 1 -14.720 2.526 1.139 1.00 0.00 H HETATM 184 H84 UNL 1 -13.648 2.555 -1.402 1.00 0.00 H HETATM 185 H85 UNL 1 -9.966 2.320 -0.621 1.00 0.00 H HETATM 186 H86 UNL 1 -10.566 3.909 1.025 1.00 0.00 H HETATM 187 H87 UNL 1 -9.354 1.253 2.136 1.00 0.00 H HETATM 188 H88 UNL 1 -8.412 3.576 0.936 1.00 0.00 H HETATM 189 H89 UNL 1 -5.240 1.717 1.756 1.00 0.00 H HETATM 190 H90 UNL 1 -4.729 -0.133 2.648 1.00 0.00 H HETATM 191 H91 UNL 1 -3.049 2.077 0.761 1.00 0.00 H HETATM 192 H92 UNL 1 -4.238 3.513 -0.529 1.00 0.00 H CONECT 1 2 101 CONECT 2 3 102 103 CONECT 3 4 55 104 CONECT 4 5 CONECT 5 6 51 105 CONECT 6 7 CONECT 7 8 49 106 CONECT 8 9 11 107 CONECT 9 10 108 109 CONECT 10 110 CONECT 11 12 CONECT 12 13 47 111 CONECT 13 14 CONECT 14 15 45 112 CONECT 15 16 18 113 CONECT 16 17 114 115 CONECT 17 116 CONECT 18 19 CONECT 19 20 43 117 CONECT 20 21 CONECT 21 22 41 118 CONECT 22 23 25 119 CONECT 23 24 120 121 CONECT 24 122 CONECT 25 26 CONECT 26 27 39 123 CONECT 27 28 CONECT 28 29 37 124 CONECT 29 30 32 125 CONECT 30 31 126 127 CONECT 31 128 CONECT 32 33 CONECT 33 34 35 129 CONECT 34 130 CONECT 35 36 37 131 CONECT 36 132 CONECT 37 38 133 CONECT 38 134 CONECT 39 40 41 135 CONECT 40 136 CONECT 41 42 137 CONECT 42 138 CONECT 43 44 45 139 CONECT 44 140 CONECT 45 46 141 CONECT 46 142 CONECT 47 48 49 143 CONECT 48 144 CONECT 49 50 145 CONECT 50 146 CONECT 51 52 53 147 CONECT 52 148 CONECT 53 54 55 149 CONECT 54 150 CONECT 55 56 151 CONECT 56 57 CONECT 57 58 99 152 CONECT 58 59 CONECT 59 60 62 153 CONECT 60 61 154 155 CONECT 61 156 CONECT 62 63 97 157 CONECT 63 64 CONECT 64 65 95 158 CONECT 65 66 CONECT 66 67 69 159 CONECT 67 68 160 161 CONECT 68 162 CONECT 69 70 93 163 CONECT 70 71 CONECT 71 72 91 164 CONECT 72 73 CONECT 73 74 76 165 CONECT 74 75 166 167 CONECT 75 168 CONECT 76 77 89 169 CONECT 77 78 CONECT 78 79 87 170 CONECT 79 80 CONECT 80 81 83 171 CONECT 81 82 172 173 CONECT 82 174 CONECT 83 84 85 175 CONECT 84 176 CONECT 85 86 87 177 CONECT 86 178 CONECT 87 88 179 CONECT 88 180 CONECT 89 90 91 181 CONECT 90 182 CONECT 91 92 183 CONECT 92 184 CONECT 93 94 95 185 CONECT 94 186 CONECT 95 96 187 CONECT 96 188 CONECT 97 98 99 189 CONECT 98 190 CONECT 99 100 191 CONECT 100 192 END SMILES for HMDB0013001 (Maltononaose)OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)C(O)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@H]5CO)O[C@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O INCHI for HMDB0013001 (Maltononaose)InChI=1S/C54H92O46/c55-1-10-19(64)20(65)30(75)47(85-10)94-39-12(3-57)87-49(32(77)22(39)67)96-41-14(5-59)89-51(34(79)24(41)69)98-43-16(7-61)91-53(36(81)26(43)71)100-45-18(9-63)92-54(37(82)28(45)73)99-44-17(8-62)90-52(35(80)27(44)72)97-42-15(6-60)88-50(33(78)25(42)70)95-40-13(4-58)86-48(31(76)23(40)68)93-38-11(2-56)84-46(83)29(74)21(38)66/h10-83H,1-9H2/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,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-/m0/s1 3D Structure for HMDB0013001 (Maltononaose) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C54H92O46 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 1477.2807 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 1476.485975556 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S,3S,4R,5R,6S)-2-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S,3S,4R,5R,6S)-2-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2S,3R,4S,5S,6S)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | 6471-60-9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)C(O)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@H]5CO)O[C@H]4CO)O[C@H]3CO)O[C@H]2CO)[C@@H](O)[C@H](O)[C@H]1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C54H92O46/c55-1-10-19(64)20(65)30(75)47(85-10)94-39-12(3-57)87-49(32(77)22(39)67)96-41-14(5-59)89-51(34(79)24(41)69)98-43-16(7-61)91-53(36(81)26(43)71)100-45-18(9-63)92-54(37(82)28(45)73)99-44-17(8-62)90-52(35(80)27(44)72)97-42-15(6-60)88-50(33(78)25(42)70)95-40-13(4-58)86-48(31(76)23(40)68)93-38-11(2-56)84-46(83)29(74)21(38)66/h10-83H,1-9H2/t10-,11+,12-,13+,14-,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,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-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | KEFAHNNQIPSIMC-WMKZAYDFSA-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 heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physiological effect | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disposition | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Process | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Role | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Solid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Molecular Properties |
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| Experimental Chromatographic Properties | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Molecular Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MS/MS Spectra
NMR Spectra
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Biological Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Cellular Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Biospecimen Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Tissue Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Pathways |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Normal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Abnormal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| 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 | FDB029241 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 35032560 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 53481575 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| VMH ID | CE2838 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
