COMPOUND: C21419
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Entry
C21419 Compound
Name
1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
Formula
C18H22O6
Exact mass
334.1416
Mol weight
334.36
Structure
Mol file
KCF file
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Reaction
R11501
Enzyme
1.11.1.14
Other DBs
CAS:
10535-17-8
PubChem:
328082962
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KCF data
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ATOM 24
1 C1c C 11.3400 -31.5000
2 C1b C 12.5524 -32.2000
3 C1c C 10.1276 -32.2000
4 O1a O 8.9321 -31.5096
5 O1a O 13.7479 -31.5096
6 C8y C 10.1275 -33.5998
7 O2a O 11.3400 -30.1000
8 C8y C 12.5524 -29.4000
9 C8x C 13.7479 -30.0904
10 C8x C 14.9604 -29.3905
11 C8x C 14.9606 -27.9905
12 C8x C 13.7651 -27.3001
13 C8y C 12.5526 -28.0000
14 C8x C 8.9319 -34.2902
15 C8x C 8.9320 -35.6902
16 C8y C 10.1445 -36.3901
17 C8y C 11.3401 -35.6997
18 C8x C 11.3400 -34.2997
19 O2a O 12.5526 -36.3996
20 O2a O 10.1446 -37.8000
21 C1a C 11.3611 -38.5023
22 C1a C 13.7478 -35.7093
23 O2a O 11.3234 -27.2900
24 C1a C 10.1191 -27.9851
BOND 25
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 20 21 1
23 19 22 1
24 13 23 1
25 23 24 1
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