COMPOUND: C10028
Entry
C10028 Compound
Name
Chrysin;
5,7-Dihydroxyflavone
Formula
C15H10O4
Exact mass
254.0579
Mol weight
254.2375
Structure
Reaction
R08081
Pathway
map00941
Flavonoid biosynthesis
Enzyme
1.14.11.22
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10028 Chrysin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavones
C10028 Chrysin
Other DBs
CAS:
480-40-0
PubChem:
12214
ChEBI:
75095
ChEMBL:
CHEMBL117
KNApSAcK:
C00003794
PDB-CCD:
57D
[
PDBj
]
3DMET:
B03471
NIKKAJI:
J1.544J
LinkDB
KCF data
ATOM 19
1 C8y C 22.7339 -16.3262
2 C8y C 22.7398 -14.9220
3 C8y C 23.9460 -17.0255
4 C8y C 21.5279 -17.0255
5 O2x O 23.9577 -14.2285
6 C8x C 21.5279 -14.2228
7 C8x C 25.1579 -16.3379
8 O5x O 23.9401 -18.4297
9 C8x C 20.3100 -16.3262
10 O1a O 21.5336 -18.4240
11 C8y C 25.1638 -14.9337
12 C8y C 20.3100 -14.9220
13 C8y C 26.3817 -14.2344
14 O1a O 19.1038 -14.2228
15 C8x C 27.5936 -14.9511
16 C8x C 26.3874 -12.8359
17 C8x C 28.8698 -14.2518
18 C8x C 27.6053 -12.1483
19 C8x C 28.8057 -12.8476
BOND 21
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 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 11 13 1
13 12 14 1
14 13 15 2
15 13 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 7 11 2
20 9 12 1
21 18 19 1
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