COMPOUND: C15598
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Entry
C15598 Compound
Name
Flavanol;
Flavan-3-ol
Formula
C15H14O2
Exact mass
226.0994
Mol weight
226.2705
Structure
Mol file
KCF file
DB search
Comment
Generic compound
(2S,3R)-Flavan-3-ol [CPD:
C21379
]
(2S,3S)-Flavan-3-ol [CPD:
C21380
]
(2R,3R)-Flavan-3-ol [CPD:
C22577
]
Other DBs
PubChem:
17396590
ChEBI:
79987
NIKKAJI:
J650.404C
LinkDB
All DBs
KCF data
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ATOM 17
1 C8y C 23.9100 -16.5154
2 C8y C 23.9100 -17.9153
3 O2x O 25.1749 -15.8184
4 C8x C 22.6940 -15.8184
5 C1x C 25.1389 -18.6241
6 C8x C 22.6940 -18.6298
7 C1y C 26.3618 -16.4966
8 C8x C 21.4883 -16.5154
9 C1y C 26.3735 -17.9210
10 C8x C 21.4883 -17.9153
11 C8y C 27.5675 -15.7997
12 C8x C 27.5616 -14.4114
13 C8x C 28.7719 -16.4850
14 C8x C 28.7544 -13.7085
15 C8x C 29.9543 -15.7881
16 C8x C 29.9660 -14.3997
17 O1a O 27.5986 -18.6266
BOND 19
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 6 10 2
10 7 11 1
11 11 12 1
12 11 13 2
13 12 14 2
14 13 15 1
15 14 16 1
16 7 9 1
17 8 10 1
18 15 16 2
19 9 17 1
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