COMPOUND: C21418
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Entry
C21418 Compound
Name
(2R,3S,4S)-Leucoanthocyanidin;
(2R,3S,4S)-Flavan-3,4-diol
Formula
C15H14O3
Exact mass
242.0943
Mol weight
242.2699
Structure
Mol file
KCF file
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Comment
Generic compound in reaction hierarchy
Reaction
R11500
R11991
R11993
Enzyme
1.1.1.219
1.14.20.4
Other DBs
PubChem:
328082961
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KCF data
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ATOM 18
1 C8x C 14.4414 -15.8196
2 C8x C 14.4414 -17.2234
3 C8x C 15.6571 -17.9254
4 C8y C 16.8730 -17.2234
5 C8y C 16.8730 -15.8196
6 C8x C 15.6571 -15.1176
7 C1y C 18.0887 -17.9254
8 C1y C 19.3044 -17.2234
9 C1y C 19.3044 -15.8196
10 O2x O 18.0887 -15.1176
11 C8y C 20.5053 -15.1262
12 O1a O 18.0887 -19.3292
13 C8x C 21.6969 -15.8141
14 C8x C 22.9127 -15.1121
15 C8x C 22.9127 -13.7083
16 C8x C 21.7211 -13.0204
17 C8x C 20.5053 -13.7223
18 O1a O 20.5270 -17.9294
BOND 20
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1 #Down
13 7 12 1 #Up
14 11 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 11 17 1
20 8 18 1 #Up
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