COMPOUND: C22372
Help
Entry
C22372 Compound
Name
Avenanthramide C;
2-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enamido]-5-hydroxybenzoate
Formula
C16H13NO6
Exact mass
315.0743
Mol weight
315.2775
Structure
Mol file
KCF file
DB search
Reaction
R12737
Enzyme
2.3.1.302
Other DBs
CAS:
116764-15-9
LinkDB
All DBs
KCF data
Show
ATOM 23
1 C8y C 15.6277 -16.5339
2 C8y C 14.4368 -15.8334
3 N1b N 16.8886 -15.8334
4 C8x C 15.6277 -17.9349
5 C8x C 13.2460 -16.5339
6 C6a C 14.4368 -14.4324
7 C5a C 18.0794 -16.5339
8 C8x C 14.4368 -18.6354
9 C8y C 13.2460 -17.9349
10 O6a O 15.6277 -13.7319
11 O6a O 13.2460 -13.7319
12 C2b C 19.2703 -15.8334
13 O5a O 18.0794 -17.9349
14 O1a O 11.9851 -18.6354
15 C2b C 20.4611 -16.5339
16 C8y C 21.7220 -15.8334
17 C8x C 22.9129 -16.5339
18 C8x C 21.7220 -14.4324
19 C8y C 24.1738 -15.9035
20 C8x C 22.9129 -13.7319
21 C8y C 24.1738 -14.5024
22 O1a O 25.3646 -13.8019
23 O1a O 25.3415 -16.6251
BOND 24
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 6 11 2
11 7 12 1
12 7 13 2
13 9 14 1
14 12 15 2
15 15 16 1
16 16 17 2
17 16 18 1
18 17 19 1
19 18 20 2
20 19 21 2
21 21 22 1
22 8 9 2
23 20 21 1
24 19 23 1
» Japanese version
DBGET
integrated database retrieval system