COMPOUND: C21422
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Entry
C21422 Compound
Name
1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
Formula
C17H20O6
Exact mass
320.126
Mol weight
320.3371
Structure
Mol file
KCF file
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Reaction
R11503
Enzyme
1.11.1.16
Other DBs
CAS:
7382-59-4
PubChem:
328082965
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KCF data
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ATOM 23
1 C1c C 18.0264 -14.8012
2 C1b C 19.2427 -15.5034
3 C1c C 16.8101 -15.5034
4 O1a O 15.6108 -14.8108
5 O1a O 20.4421 -14.8108
6 C8y C 16.8100 -16.9077
7 O2a O 18.0264 -13.3967
8 C8y C 19.2427 -12.6944
9 C8x C 20.4421 -13.3871
10 C8x C 21.6585 -12.6849
11 C8x C 21.6587 -11.2804
12 C8x C 20.4593 -10.5878
13 C8y C 19.2429 -11.2899
14 C8x C 15.6106 -17.6004
15 C8x C 15.6107 -19.0049
16 C8y C 16.8271 -19.7070
17 C8y C 18.0265 -19.0144
18 C8x C 18.0264 -17.6099
19 O2a O 19.2429 -19.7165
20 O1a O 16.8272 -21.1214
21 C1a C 20.4420 -19.0240
22 O2a O 18.0098 -10.5777
23 C1a C 16.8016 -11.2750
BOND 24
1 1 2 1
2 1 3 1
3 3 4 1
4 2 5 1
5 3 6 1
6 1 7 1
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 8 13 1
14 6 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 6 18 1
20 17 19 1
21 16 20 1
22 19 21 1
23 13 22 1
24 22 23 1
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