COMPOUND: C10112
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Entry
C10112 Compound
Name
Nobiletin;
Hexamethoxyflavone;
5,6,7,8,3',4'-Hexamethoxyflavone
Formula
C21H22O8
Exact mass
402.1315
Mol weight
402.39
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10112 Nobiletin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavones
C10112 Nobiletin
BRITE hierarchy
Other DBs
CAS:
478-01-3
PubChem:
12298
ChEBI:
7602
LIPIDMAPS:
LMPK12111468
KNApSAcK:
C00001076
NIKKAJI:
J12.548B
LinkDB
All DBs
KCF data
Show
ATOM 29
1 C8y C 25.8080 -30.0980
2 C8y C 25.8139 -28.6939
3 C8y C 24.6019 -30.7972
4 C8y C 27.0200 -30.8031
5 C8y C 24.6019 -27.9948
6 O2x O 27.0316 -28.0005
7 C8y C 23.3901 -30.0980
8 O2a O 24.5378 -32.2015
9 C8x C 28.2377 -30.1040
10 O5x O 27.0140 -32.2072
11 C8y C 23.3901 -28.6939
12 O2a O 24.5378 -26.5964
13 C8y C 28.2434 -28.7056
14 O2a O 22.1782 -30.7972
15 C1a C 23.3960 -32.9005
16 O2a O 22.1782 -27.9948
17 C1a C 23.3901 -25.8915
18 C8y C 29.4612 -28.0122
19 C1a C 20.9662 -30.0980
20 C1a C 20.9722 -28.6939
21 C8x C 29.4612 -26.6140
22 C8x C 30.6672 -28.7173
23 C8y C 30.6789 -25.9148
24 C8x C 31.8791 -28.0238
25 C8y C 31.8850 -26.6255
26 O2a O 30.6847 -24.5164
27 O2a O 33.1027 -25.9265
28 C1a C 31.8966 -23.8230
29 C1a C 34.3088 -26.6255
BOND 31
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 2
11 5 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 11 16 1
16 12 17 1
17 13 18 1
18 14 19 1
19 16 20 1
20 18 21 1
21 18 22 2
22 21 23 2
23 22 24 1
24 23 25 1
25 23 26 1
26 25 27 1
27 26 28 1
28 27 29 1
29 7 11 1
30 9 13 2
31 24 25 2
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