COMPOUND: C19727
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Entry
C19727 Compound
Name
5-Hydroxypseudobaptigenin;
5,7-Dihydroxy-3',4'-methylenedioxyisoflavone
Formula
C16H10O6
Exact mass
298.0477
Mol weight
298.247
Structure
Mol file
KCF file
DB search
Reaction
R09602
Pathway
map00943
Isoflavonoid biosynthesis
Enzyme
1.14.19.63
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C19727 5-Hydroxypseudobaptigenin
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Other DBs
PubChem:
135626194
KNApSAcK:
C00009455
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KCF data
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ATOM 22
1 C8y C 22.8151 -17.3020
2 C8y C 21.6045 -16.6003
3 C8x C 22.8034 -18.6999
4 C8x C 24.0197 -16.6062
5 C8y C 20.3880 -17.2903
6 C8x C 21.6103 -15.1967
7 C8y C 24.0080 -19.4133
8 C8x C 25.2303 -17.3137
9 C8y C 19.1834 -16.5886
10 O5x O 20.3822 -18.6939
11 O2x O 20.3997 -14.4950
12 C8y C 25.2945 -18.7116
13 O2x O 24.3004 -20.7876
14 C8y C 19.1891 -15.1909
15 C8y C 17.9786 -17.2845
16 O2x O 26.2655 -19.6529
17 C1x C 25.6982 -20.9337
18 C8x C 17.9786 -14.4892
19 C8x C 16.7681 -16.5886
20 C8y C 16.7681 -15.1909
21 O1a O 15.5518 -14.4892
22 O1a O 17.9801 -18.6900
BOND 25
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 2
8 5 9 1
9 5 10 2
10 6 11 1
11 7 12 2
12 7 13 1
13 9 14 2
14 9 15 1
15 12 16 1
16 13 17 1
17 14 18 1
18 15 19 2
19 18 20 2
20 20 21 1
21 8 12 1
22 11 14 1
23 16 17 1
24 19 20 1
25 15 22 1
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