COMPOUND: C03093
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Entry
C03093 Compound
Name
7,8-Dihydroxycoumarin;
Daphnetin
Formula
C9H6O4
Exact mass
178.0266
Mol weight
178.1415
Structure
Mol file
KCF file
DB search
Reaction
R03548
Enzyme
2.4.1.104
Brite
Phytochemical compounds [BR:
br08003
]
Phenylpropanoids
Coumarins
Coumarins
C03093 7,8-Dihydroxycoumarin
BRITE hierarchy
Other DBs
CAS:
486-35-1
PubChem:
5991
ChEBI:
17313
KNApSAcK:
C00002462
3DMET:
B00541
NIKKAJI:
J6.008I
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KCF data
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ATOM 13
1 C8y C 28.3210 -17.9952
2 C8y C 28.3210 -19.4041
3 C8y C 27.0992 -17.2820
4 O7x O 29.5488 -17.2820
5 C8x C 27.0992 -20.0940
6 C8x C 29.5428 -20.1231
7 C8y C 25.8951 -17.9952
8 O1a O 27.0935 -15.8849
9 C8y C 30.6360 -18.0186
10 C8x C 25.8951 -19.4041
11 C8x C 30.6302 -19.4392
12 O1a O 24.6908 -17.2937
13 O6a O 31.9805 -17.2879
BOND 14
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 5 10 2
10 6 11 2
11 7 12 1
12 9 13 2
13 7 10 1
14 9 11 1
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