COMPOUND: C13625
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Entry
C13625 Compound
Name
4-Methyl-2,4-bis-(p-hydroxyphenyl)pent-1-ene
Formula
C18H20O2
Exact mass
268.1463
Mol weight
268.3502
Structure
Mol file
KCF file
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Reaction
R06880
Pathway
map00363
Bisphenol degradation
map01120
Microbial metabolism in diverse environments
Other DBs
CAS:
13464-24-9
PubChem:
586243
ChEBI:
31129
NIKKAJI:
J53.476E
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KCF data
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ATOM 20
1 C8y C 31.3280 -16.9825
2 C8x C 31.3847 -18.3756
3 C8x C 32.5224 -19.0833
4 C8y C 33.7391 -18.3914
5 C8x C 33.7483 -16.9917
6 C8x C 32.5406 -16.2838
7 O1a O 34.9468 -19.0991
8 C8x C 24.0555 -16.9316
9 C8y C 24.0475 -18.3314
10 C8x C 25.2586 -19.0382
11 C8x C 26.4707 -18.3453
12 C8y C 26.4787 -16.9455
13 C8x C 25.2747 -16.2387
14 O1a O 22.8317 -19.0248
15 C2c C 27.6954 -16.2534
16 C1b C 28.9031 -16.9613
17 C2a C 27.7045 -14.8539
18 C1d C 30.1198 -16.2692
19 C1a C 31.3242 -15.5556
20 C1a C 30.0893 -14.7226
BOND 21
1 6 1 1
2 8 9 2
3 9 10 1
4 10 11 2
5 11 12 1
6 12 13 2
7 13 8 1
8 9 14 1
9 4 7 1
10 12 15 1
11 1 2 2
12 15 16 1
13 2 3 1
14 15 17 2
15 3 4 2
16 16 18 1
17 18 1 1
18 4 5 1
19 18 19 1
20 5 6 2
21 18 20 1
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