COMPOUND: C10036
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Entry
C10036 Compound
Name
Datiscetin;
3,5,7,2'-Tetrahydroxyflavone
Formula
C15H10O6
Exact mass
286.0477
Mol weight
286.2363
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C10036 Datiscetin
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavonols
C10036 Datiscetin
BRITE hierarchy
Other DBs
CAS:
480-15-9
PubChem:
12222
ChEBI:
75107
LIPIDMAPS:
LMPK12111622
KNApSAcK:
C00004562
PDB-CCD:
CC6
[
PDBj
]
3DMET:
B03479
NIKKAJI:
J6.162J
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All DBs
KCF data
Show
ATOM 21
1 C8y C 23.6442 -18.5606
2 C8y C 23.6501 -17.1621
3 C8y C 24.8563 -19.2657
4 C8y C 22.4439 -19.2598
5 O2x O 24.8680 -16.4628
6 C8x C 22.4439 -16.4571
7 C8y C 26.1442 -18.5722
8 O5x O 24.8504 -20.6641
9 C8x C 21.2261 -18.5606
10 O1a O 22.4439 -20.6583
11 C8y C 26.0799 -17.1737
12 C8y C 21.2261 -17.1621
13 O1a O 27.2861 -19.2772
14 C8y C 27.2978 -16.4745
15 O1a O 20.0199 -16.4571
16 C8y C 28.5040 -17.1854
17 C8x C 27.2978 -15.0760
18 C8x C 29.7159 -16.4862
19 O1a O 28.4981 -18.3739
20 C8x C 28.5156 -14.3827
21 C8x C 29.7218 -15.0877
BOND 23
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 7 13 1
13 11 14 1
14 12 15 1
15 14 16 2
16 14 17 1
17 16 18 1
18 16 19 1
19 17 20 2
20 18 21 2
21 7 11 2
22 9 12 1
23 20 21 1
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