COMPOUND: C21738
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Entry
C21738 Compound
Name
(4R)-4,2'-Dihydroxyisoflavan
Formula
C15H14O3
Exact mass
242.0943
Mol weight
242.27
Structure
Mol file
KCF file
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Comment
Generic compound in reaction hierarchy
Reaction
R11877
R12307
Enzyme
1.1.1.348
4.2.1.139
Other DBs
PubChem:
350078315
ChEBI:
181952
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All DBs
KCF data
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ATOM 18
1 C8x C 13.7955 -14.4264
2 C8x C 13.7955 -15.8266
3 C8x C 15.0558 -16.5268
4 C8y C 16.2460 -15.8266
5 C8y C 16.2460 -14.4264
6 C8x C 15.0558 -13.7262
7 C1y C 17.4363 -16.5268
8 C1y C 18.6965 -15.8266
9 C1x C 18.6965 -14.4264
10 O2x O 17.4363 -13.7262
11 C8y C 19.8867 -16.5268
12 C8x C 19.8867 -17.9270
13 C8x C 21.0770 -18.6272
14 C8x C 22.2672 -17.9270
15 C8x C 22.2672 -16.5268
16 C8y C 21.0770 -15.8266
17 O1a O 17.4363 -17.9270
18 O1a O 21.0771 -14.4200
BOND 20
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 7 17 1 #Up
20 16 18 1
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