COMPOUND: C14458
Help
Entry
C14458 Compound
Name
Dihydrogenistein;
4',5,7-Trihydroxyisoflavan-4-one
Formula
C15H12O5
Exact mass
272.0685
Mol weight
272.2528
Structure
Mol file
KCF file
DB search
Reaction
R13061
R13062
Pathway
map00946
Degradation of flavonoids
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C14458 Dihydrogenistein
BRITE hierarchy
Other DBs
PubChem:
17395458
ChEBI:
34707
NIKKAJI:
J710.918K
LinkDB
All DBs
KCF data
Show
ATOM 20
1 C8y C 24.6411 -15.1914
2 C8x C 24.6411 -16.5915
3 C8y C 25.8536 -17.2916
4 C8y C 27.0662 -16.5915
5 C8y C 27.0662 -15.1914
6 C8x C 25.8536 -14.4913
7 C5x C 28.2787 -17.2916
8 C1y C 29.4912 -16.5915
9 C1x C 29.4912 -15.1914
10 O2x O 28.2787 -14.4913
11 C8y C 30.6889 -17.2831
12 C8x C 30.6889 -18.6914
13 C8x C 31.9015 -19.3915
14 C8y C 33.1140 -18.6914
15 C8x C 33.1140 -17.2831
16 C8x C 31.9014 -16.5830
17 O1a O 34.3250 -19.3906
18 O5x O 28.2787 -18.6917
19 O1a O 25.8536 -18.6915
20 O1a O 23.4286 -14.4913
BOND 22
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
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 14 17 1
20 7 18 2
21 3 19 1
22 1 20 1
» Japanese version
DBGET
integrated database retrieval system