COMPOUND: C04527
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Entry
C04527 Compound
Name
Corniculatusin;
3,3',4',5,7-Pentahydroxy-8-methoxyflavone
Formula
C16H12O8
Exact mass
332.0532
Mol weight
332.26
Structure
Mol file
KCF file
DB search
Reaction
R04398
Enzyme
2.1.1.88
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C04527 Corniculatusin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavonols
C04527 Corniculatusin
BRITE hierarchy
Other DBs
CAS:
27500-34-1
PubChem:
7138
ChEBI:
28018
LIPIDMAPS:
LMPK12113234
KNApSAcK:
C00004724
NIKKAJI:
J94.555B
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KCF data
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ATOM 24
1 C8y C 16.8000 -16.3800
2 C8y C 16.8000 -17.7800
3 O2x O 18.0600 -15.6800
4 C8y C 15.6100 -15.6800
5 C8y C 18.0600 -18.4800
6 C8y C 15.6100 -18.4800
7 C8y C 19.3200 -16.3800
8 C8y C 14.4200 -16.3800
9 O2a O 15.6100 -14.2800
10 C8y C 19.3200 -17.7800
11 O5x O 18.0600 -19.8100
12 C8x C 14.4200 -17.7800
13 O1a O 15.6100 -19.8100
14 C8y C 20.5100 -15.6800
15 O1a O 13.1600 -15.6800
16 C1a C 14.4200 -13.5800
17 O1a O 20.5100 -18.4800
18 C8x C 20.5100 -14.2800
19 C8x C 21.7000 -16.3800
20 C8y C 21.7000 -13.5800
21 C8x C 22.9600 -15.6800
22 C8y C 22.9600 -14.2800
23 O1a O 21.7000 -12.1800
24 O1a O 24.1500 -13.5800
BOND 26
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 4 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 6 13 1
13 7 14 1
14 8 15 1
15 9 16 1
16 10 17 1
17 14 18 1
18 14 19 2
19 18 20 2
20 19 21 1
21 20 22 1
22 20 23 1
23 22 24 1
24 7 10 2
25 8 12 2
26 21 22 2
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