COMPOUND: C14612
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Entry
C14612 Compound
Name
Rubrophen;
4-[Bis(4-hydroxy-3-methoxyphenyl)methylene]-2-methoxy-2,5-cyclohexadien-1-one
Formula
C22H20O6
Exact mass
380.126
Mol weight
380.3906
Structure
Mol file
KCF file
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Other DBs
CAS:
5664-34-6
PubChem:
17395612
ChEBI:
34955
NIKKAJI:
J2.788.571C
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KCF data
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ATOM 28
1 C2c C 18.9000 -13.0200
2 C8y C 20.1124 -13.7200
3 C8y C 17.6876 -13.7200
4 C8x C 16.4921 -13.0296
5 C8x C 15.2796 -13.7295
6 C8y C 15.2794 -15.1295
7 C8y C 16.4749 -15.8199
8 C8x C 17.6874 -15.1200
9 C8x C 20.1124 -15.1198
10 C8x C 21.3248 -15.8198
11 C8y C 22.5373 -15.1199
12 C8y C 22.5373 -13.7200
13 C8x C 21.3248 -13.0200
14 O1a O 14.0566 -15.8354
15 O1a O 23.7518 -15.8211
16 O2a O 16.4748 -17.2198
17 C1a C 15.2437 -17.9306
18 O2a O 23.7518 -13.0188
19 C1a C 24.9483 -13.7098
20 C2y C 18.9000 -11.6200
21 C2x C 20.1124 -10.9200
22 C2x C 20.1124 -9.5200
23 C5x C 18.9000 -8.8200
24 C2y C 17.6876 -9.5200
25 C2x C 17.6876 -10.9200
26 O5x O 18.9000 -7.4200
27 O2a O 16.4921 -8.8296
28 C1a C 15.3047 -9.5151
BOND 30
1 1 2 1
2 1 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 2
8 3 8 1
9 2 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 2 13 1
15 6 14 1
16 11 15 1
17 7 16 1
18 16 17 1
19 12 18 1
20 18 19 1
21 1 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 1
26 24 25 2
27 20 25 1
28 23 26 2
29 24 27 1
30 27 28 1
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