COMPOUND: C02201
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Entry
C02201 Compound
Name
Veratraldehyde;
Veratric aldehyde;
3,4-Dimethoxybenzaldehyde
Formula
C9H10O3
Exact mass
166.063
Mol weight
166.1739
Structure
Mol file
KCF file
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Reaction
R04461
R11501
Enzyme
1.11.1.14
Other DBs
CAS:
120-14-9
PubChem:
5269
ChEBI:
17098
3DMET:
B00400
NIKKAJI:
J9.907D
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All DBs
KCF data
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ATOM 12
1 C8y C 28.5972 -20.2309
2 C8y C 27.3727 -20.9424
3 C8x C 28.5972 -18.8201
4 O2a O 29.8027 -20.9233
5 C8x C 26.1672 -20.2309
6 O2a O 27.3662 -22.3338
7 C8y C 27.3727 -18.1214
8 C1a C 29.8090 -22.3209
9 C8x C 26.1672 -18.8201
10 C1a C 26.1607 -23.0325
11 C4a C 27.3662 -16.7300
12 O4a O 26.1607 -16.0311
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 2
9 6 10 1
10 7 11 1
11 11 12 2
12 7 9 1
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