COMPOUND: C12082
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Entry
C12082 Compound
Name
alpha-L-Rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucuronopyranoside;
beta-Fabatriose
Formula
C18H30O16
Exact mass
502.1534
Mol weight
502.42
Structure
Mol file
KCF file
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Other DBs
PubChem:
14233
ChEBI:
29712
NIKKAJI:
J2.780.250H
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KCF data
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ATOM 34
1 C1y C 26.1165 -16.6956
2 C1y C 26.0889 -18.0813
3 O2x O 24.8876 -16.0379
4 O2a O 27.3878 -18.7529
5 C1y C 24.9711 -18.8239
6 C1y C 23.6958 -16.7495
7 C1y C 27.4290 -20.1529
8 C1y C 23.7422 -18.1521
9 O1a O 25.0045 -20.2261
10 C6a C 22.4619 -16.0820
11 C1y C 28.6601 -20.8184
12 O2x O 26.2233 -20.8781
13 O1a O 22.5389 -18.8923
14 O6a O 22.4975 -14.6939
15 O6a O 21.2766 -16.8254
16 O2a O 29.8509 -20.0957
17 C1y C 28.6235 -22.2207
18 C1y C 26.2675 -22.2847
19 C1y C 31.0642 -20.7577
20 C1y C 27.5015 -22.9594
21 O1a O 29.9107 -22.9002
22 C1b C 25.0643 -23.0188
23 C1y C 32.2467 -20.0030
24 O2x O 31.0647 -22.1673
25 O1a O 27.5320 -24.3667
26 C1y C 33.4917 -20.6427
27 O1a O 32.1783 -18.6161
28 C1y C 32.3877 -22.8080
29 C1y C 33.4919 -22.0383
30 O1a O 34.6653 -19.8798
31 C1a C 32.4636 -24.2057
32 O1a O 34.8113 -22.6730
33 O1a O 27.3351 -16.0164
34 O1a O 23.8400 -22.3371
BOND 36
1 1 2 1
2 1 3 1
3 2 4 1 #Down
4 2 5 1
5 3 6 1
6 7 4 1 #Up
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 7 11 1
11 7 12 1
12 8 13 1 #Down
13 10 14 1
14 10 15 2
15 11 16 1 #Down
16 11 17 1
17 12 18 1
18 19 16 1 #Up
19 17 20 1
20 17 21 1 #Up
21 18 22 1 #Up
22 19 23 1
23 19 24 1
24 20 25 1 #Up
25 23 26 1
26 23 27 1 #Down
27 24 28 1
28 26 29 1
29 26 30 1 #Down
30 28 31 1 #Down
31 29 32 1 #Up
32 6 8 1
33 18 20 1
34 1 33 1 #Up
35 28 29 1
36 22 34 1
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