COMPOUND: C17785
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Entry
C17785 Compound
Name
Cirsimaritin;
Scrophulein;
4',5-Dihydroxy-6,7-dimethoxyflavone
Formula
C17H14O6
Exact mass
314.0790
Mol weight
314.29
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C17785 Cirsimaritin
BRITE hierarchy
Other DBs
CAS:
6601-62-3
PubChem:
96024104
ChEBI:
81337
LIPIDMAPS:
LMPK12111163
KNApSAcK:
C00003837
NIKKAJI:
J94.487D
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All DBs
KCF data
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ATOM 23
1 C8y C 21.5600 -24.1500
2 C8y C 21.5600 -25.5500
3 C8y C 22.7500 -26.2500
4 C8y C 23.9400 -25.5500
5 C8y C 23.9400 -24.1500
6 C8x C 22.7500 -23.4500
7 C8y C 25.2000 -26.2500
8 C8x C 26.3900 -25.5500
9 C8y C 26.3900 -24.1500
10 O2x O 25.2000 -23.4500
11 C8y C 27.5800 -23.4500
12 O2a O 20.3000 -23.4500
13 O2a O 20.3000 -26.2500
14 O1a O 22.7500 -27.6500
15 O5x O 25.2000 -27.6500
16 C8x C 28.7700 -24.1500
17 C8x C 30.0300 -23.4500
18 C8y C 30.0300 -22.0500
19 C8x C 28.8400 -21.3500
20 C8x C 27.5800 -22.0500
21 O1a O 31.2200 -21.2800
22 C1a C 19.1100 -25.5500
23 C1a C 20.3000 -22.0500
BOND 25
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 9 11 1
13 1 12 1
14 2 13 1
15 3 14 1
16 7 15 2
17 11 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 11 20 2
23 18 21 1
24 13 22 1
25 12 23 1
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