COMPOUND: C08252
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Entry
C08252 Compound
Name
Verbascose;
beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside
Formula
C30H52O26
Exact mass
828.2747
Mol weight
828.7183
Structure
Mol file
KCF file
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Other DBs
CAS:
546-62-3
PubChem:
10451
ChEBI:
28586
KNApSAcK:
C00001154
NIKKAJI:
J16.156J
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KCF data
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ATOM 56
1 C1z C 38.8957 -16.1958
2 O2a O 37.6403 -17.0184
3 O2x O 40.0126 -15.3994
4 C1y C 39.3286 -17.5033
5 C1b C 37.9780 -15.0702
6 C1y C 36.3502 -17.9015
7 C1y C 41.1036 -16.1958
8 C1y C 40.6880 -17.5033
9 O1a O 38.5148 -18.6116
10 O1a O 36.5061 -15.7715
11 O2x O 35.1814 -17.2175
12 C1y C 36.3502 -19.2694
13 C1b C 42.3936 -15.7283
14 O1a O 41.4759 -18.6116
15 C1y C 33.9952 -17.9015
16 C1y C 35.1814 -19.9449
17 O1a O 37.5278 -19.9449
18 O1a O 43.4068 -16.6980
19 C1b C 32.6444 -17.1397
20 C1y C 33.9952 -19.2694
21 O1a O 35.1814 -21.3128
22 O2a O 31.3889 -17.9276
23 O1a O 32.8264 -19.9449
24 C1y C 29.8997 -18.7414
25 O2x O 28.7224 -18.0574
26 C1y C 29.8997 -20.1093
27 C1y C 27.5448 -18.7414
28 C1y C 28.7224 -20.7847
29 O1a O 31.0773 -20.7847
30 C1b C 26.3759 -18.0574
31 C1y C 27.5448 -20.1093
32 O1a O 28.7224 -22.1441
33 O2a O 25.1464 -18.8453
34 O1a O 26.3759 -20.7847
35 C1y C 23.7958 -19.6506
36 O2x O 22.6181 -18.9751
37 C1y C 23.7958 -21.0097
38 C1y C 21.4408 -19.6506
39 C1y C 22.6181 -21.7025
40 O1a O 24.9560 -21.7025
41 C1b C 20.2720 -18.9751
42 C1y C 21.4408 -21.0097
43 O1a O 22.6181 -23.0531
44 O2a O 19.0512 -19.7631
45 O1a O 20.2720 -21.7025
46 C1y C 17.7696 -20.5856
47 O2x O 16.5835 -19.9190
48 C1y C 17.7696 -21.9450
49 C1y C 15.4147 -20.5856
50 C1y C 16.5835 -22.6290
51 O1a O 18.9299 -22.6290
52 C1y C 15.4147 -21.9450
53 C1b C 14.2371 -19.9190
54 O1a O 16.5835 -23.9884
55 O1a O 14.2371 -22.6290
56 O1a O 12.5834 -20.5856
BOND 60
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 6 2 1 #Down
6 3 7 1
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 6 11 1
11 6 12 1
12 7 13 1 #Down
13 8 14 1 #Up
14 11 15 1
15 12 16 1
16 12 17 1 #Down
17 13 18 1
18 15 19 1 #Up
19 15 20 1
20 16 21 1 #Up
21 19 22 1
22 20 23 1 #Down
23 24 22 1 #Down
24 24 25 1
25 24 26 1
26 25 27 1
27 26 28 1
28 26 29 1 #Down
29 27 30 1 #Up
30 27 31 1
31 28 32 1 #Up
32 30 33 1
33 31 34 1 #Up
34 35 33 1 #Down
35 35 36 1
36 35 37 1
37 36 38 1
38 37 39 1
39 37 40 1 #Down
40 38 41 1 #Up
41 38 42 1
42 39 43 1 #Up
43 41 44 1
44 42 45 1 #Up
45 46 44 1 #Down
46 46 47 1
47 46 48 1
48 47 49 1
49 48 50 1
50 48 51 1 #Down
51 49 52 1
52 49 53 1 #Up
53 50 54 1 #Up
54 52 55 1 #Up
55 53 56 1
56 7 8 1
57 16 20 1
58 28 31 1
59 39 42 1
60 50 52 1
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