COMPOUND: C18348
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Entry
C18348 Compound
Name
2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Formula
C15H12O8
Exact mass
320.0532
Mol weight
320.251
Structure
Mol file
KCF file
DB search
Reaction
R09275
R09276
Pathway
map00627
Aminobenzoate degradation
map01120
Microbial metabolism in diverse environments
Other DBs
PubChem:
124489022
ChEBI:
81694
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KCF data
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ATOM 23
1 C8y C 25.9774 -19.2573
2 C8y C 27.2378 -18.5570
3 C8y C 24.7870 -18.5570
4 C8x C 25.9774 -20.6577
5 C8y C 28.4282 -19.2573
6 C8x C 27.2378 -17.1565
7 C8y C 23.5266 -19.2573
8 O1a O 24.7870 -17.1565
9 C8y C 24.7870 -21.4279
10 C8y C 29.6186 -18.5570
11 O1a O 28.4282 -20.5876
12 C8y C 28.4282 -16.4563
13 C8x C 23.5266 -20.6577
14 C8x C 29.6186 -17.1565
15 O2a O 22.3316 -18.5541
16 C1a C 21.1203 -19.2403
17 C6a C 24.8051 -22.8382
18 O6a O 26.0233 -23.5209
19 O6a O 23.5968 -23.5566
20 O1a O 30.8495 -19.2611
21 C6a C 28.4283 -15.0621
22 O6a O 29.6525 -14.3553
23 O6a O 27.2257 -14.3677
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 2
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 10 14 2
14 9 13 2
15 12 14 1
16 7 15 1
17 15 16 1
18 9 17 1
19 17 18 2
20 17 19 1
21 10 20 1
22 12 21 1
23 21 22 1
24 21 23 2
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