COMPOUND: C01760
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Entry
C01760 Compound
Name
(6S,9R)-Vomifoliol;
(6S,9R)-6-Hydroxy-3-oxo-alpha-ionol
Formula
C13H20O3
Exact mass
224.1412
Mol weight
224.30
Structure
Mol file
KCF file
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Reaction
R04412
Enzyme
1.1.1.221
Other DBs
CAS:
23526-45-6
PubChem:
4893
ChEBI:
49164
KNApSAcK:
C00029834
NIKKAJI:
J16.949H
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KCF data
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ATOM 16
1 C1z C 21.5256 -16.2073
2 C1z C 20.3003 -15.5081
3 C2y C 21.5256 -17.6186
4 C2b C 22.7317 -15.5016
5 O1a O 22.5854 -17.0401
6 C1x C 19.0942 -16.2073
7 C1a C 19.7247 -14.3708
8 C1a C 20.9868 -14.3655
9 C2x C 20.3003 -18.3308
10 C1a C 22.5982 -18.3117
11 C2b C 23.9442 -16.2010
12 C5x C 19.0942 -17.6186
13 C1c C 25.1503 -15.4953
14 O5x O 17.9517 -18.3817
15 C1a C 26.3628 -16.1945
16 O1a O 25.1440 -14.3831
BOND 16
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 2 8 1
8 3 9 2
9 3 10 1
10 4 11 2
11 6 12 1
12 11 13 1
13 12 14 2
14 13 15 1
15 13 16 1 #Down
16 9 12 1
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