COMPOUND: C18012
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Entry
C18012 Compound
Name
Flaviolin;
2,5,7-Trihydroxy-1,4-naphthalenedione;
4,5,7-Trihydroxynaphthalene-1,2-dione
Formula
C10H6O5
Exact mass
206.0215
Mol weight
206.1516
Structure
Mol file
KCF file
DB search
Reaction
R08912
R08913
R10969
Enzyme
1.14.19.69
2.5.1.123
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK13 Aromatic polyketides
PK1302 Naphthalenes and naphthoquinones
C18012 Flaviolin
BRITE hierarchy
Other DBs
CAS:
479-05-0
PubChem:
96024232
ChEBI:
42646
PDB-CCD:
FLV
[
PDBj
]
NIKKAJI:
J12.547D
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KCF data
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ATOM 15
1 C2x C 22.7500 -18.6900
2 C2y C 22.7500 -20.0900
3 C5x C 21.5600 -20.7900
4 C8y C 20.3000 -20.0900
5 C8y C 20.3000 -18.6900
6 C5x C 21.5600 -17.9900
7 C8x C 19.1100 -20.7900
8 C8y C 17.9200 -20.0900
9 C8x C 17.9200 -18.6900
10 C8y C 19.1100 -17.9900
11 O5x O 21.5600 -16.5900
12 O5x O 21.5600 -22.1900
13 O1a O 23.9400 -20.7900
14 O1a O 16.7300 -20.7900
15 O1a O 19.1100 -16.5900
BOND 16
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 6 11 2
13 3 12 2
14 2 13 1
15 8 14 1
16 10 15 1
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