COMPOUND: C10486
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Entry
C10486 Compound
Name
Licoisoflavone A;
2',4',5,7-Tetrahydroxy-3'-(3,3-dimethylallyl)isoflavone
Formula
C20H18O6
Exact mass
354.1103
Mol weight
354.3533
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C10486 Licoisoflavone A
Phytochemical compounds [BR:
br08003
]
Flavonoids
Isoflavonoids
Isoflavones
C10486 Licoisoflavone A
BRITE hierarchy
Other DBs
CAS:
66056-19-7
PubChem:
12669
ChEBI:
28620
LIPIDMAPS:
LMPK12050286
KNApSAcK:
C00002542
PDB-CCD:
JU3
[
PDBj
]
3DMET:
B03891
NIKKAJI:
J18.970G
LinkDB
All DBs
KCF data
Show
ATOM 26
1 C8y C 24.1275 -16.9577
2 C8y C 25.3396 -17.6627
3 C8y C 22.9097 -17.6512
4 C8x C 24.1334 -15.5593
5 C8y C 26.5514 -16.9694
6 C8x C 25.3279 -19.0611
7 C8y C 21.6978 -16.9460
8 O5x O 22.9040 -19.0494
9 O2x O 22.9214 -14.8484
10 C8y C 27.7635 -17.6686
11 O1a O 26.5514 -15.5652
12 C8x C 26.5398 -19.7720
13 C8y C 21.7036 -15.5476
14 C8y C 20.5034 -17.6453
15 C8y C 27.7576 -19.0727
16 C1b C 28.9754 -16.9753
17 C8x C 20.5034 -14.8427
18 C8x C 19.2856 -16.9460
19 O1a O 20.5034 -19.0437
20 O1a O 28.9637 -19.7779
21 C2b C 30.1815 -17.6802
22 C8y C 19.2856 -15.5476
23 C2c C 31.3993 -16.9868
24 O1a O 18.0737 -14.8427
25 C1a C 32.6112 -17.6919
26 C1a C 31.4050 -15.5885
BOND 28
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 7 13 2
13 7 14 1
14 10 15 1
15 10 16 1
16 13 17 1
17 14 18 2
18 14 19 1
19 15 20 1
20 16 21 1
21 17 22 2
22 21 23 2
23 22 24 1
24 23 25 1
25 23 26 1
26 9 13 1
27 12 15 2
28 18 22 1
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