COMPOUND: C04597
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Entry
C04597 Compound
Name
1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol;
1,2-Bis(3,4-dimethoxyphenyl)-1,3-propanediol
Formula
C19H24O6
Exact mass
348.1573
Mol weight
348.3903
Structure
Mol file
KCF file
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Reaction
R04461
Enzyme
1.11.1.14
Other DBs
PubChem:
7194
ChEBI:
27670
NIKKAJI:
J1.902.178E
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KCF data
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ATOM 25
1 C8y C 26.9072 -17.5700
2 C1c C 28.1343 -16.8923
3 C8x C 25.7061 -16.8449
4 C8x C 26.8805 -18.9582
5 C1c C 28.1601 -15.4896
6 C1b C 29.3319 -17.6115
7 C8x C 24.4817 -17.5139
8 C8y C 25.6623 -19.6382
9 C8y C 29.4064 -14.7941
10 O1a O 26.9624 -14.7704
11 O1a O 29.3061 -19.0141
12 C8y C 24.5345 -18.9190
13 C8x C 29.4332 -13.4058
14 C8x C 30.6075 -15.5189
15 O2a O 23.2376 -19.5966
16 C8y C 30.6570 -12.7225
17 C8x C 31.8376 -14.8470
18 C1a C 22.0396 -18.8772
19 C8y C 31.8549 -13.4419
20 O2a O 30.6774 -11.3231
21 O2a O 33.0762 -12.7674
22 C1a C 31.8957 -10.6428
23 C1a C 34.2797 -13.4836
24 O2a O 25.6898 -21.0682
25 C1a C 24.3865 -21.7322
BOND 26
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 9 13 2
13 9 14 1
14 12 15 1
15 13 16 1
16 14 17 2
17 15 18 1
18 16 19 2
19 16 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 8 12 2
24 17 19 1
25 8 24 1
26 24 25 1
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