COMPOUND: C13631
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Entry
C13631 Compound
Name
2,2-Bis(4-hydroxyphenyl)-1-propanol
Formula
C15H16O3
Exact mass
244.1099
Mol weight
244.2857
Structure
Mol file
KCF file
DB search
Reaction
R06884
R06887
R06888
Pathway
map00363
Bisphenol degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.14.13.- 1.14.-.-
Other DBs
CAS:
142648-65-5
PubChem:
586247
ChEBI:
33613
NIKKAJI:
J1.321.973G
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KCF data
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ATOM 18
1 C8x C 25.2465 -17.3022
2 C8y C 25.2386 -18.7002
3 C8x C 26.4483 -19.4063
4 C8x C 27.6588 -18.7141
5 C8y C 27.6669 -17.3161
6 C8x C 26.4642 -16.6101
7 O1a O 24.0240 -19.3930
8 C1d C 28.8822 -16.6249
9 C8y C 30.0885 -17.3317
10 C1a C 27.6627 -15.9207
11 C1b C 30.0848 -15.9136
12 C8x C 30.0753 -18.7234
13 C8x C 31.2816 -19.4303
14 C8y C 32.4969 -18.7390
15 C8x C 32.5061 -17.3409
16 O1a O 33.7032 -19.4459
17 C8x C 31.3028 -16.5998
18 O1a O 30.0701 -14.5154
BOND 19
1 8 9 1
2 3 4 2
3 8 10 1
4 4 5 1
5 8 11 1
6 5 6 2
7 6 1 1
8 2 7 1
9 9 12 2
10 12 13 1
11 13 14 2
12 14 15 1
13 15 17 2
14 17 9 1
15 1 2 2
16 14 16 1
17 5 8 1
18 2 3 1
19 11 18 1
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