COMPOUND: C04033
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Entry
C04033 Compound
Name
1,3,6,8-Naphthalenetetrol;
1,3,6,8-Tetrahydroxynaphthalene
Formula
C10H8O4
Exact mass
192.0423
Mol weight
192.1681
Structure
Mol file
KCF file
DB search
Reaction
R02906
R10965
Enzyme
1.1.1.252
2.3.1.233
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK13 Aromatic polyketides
PK1302 Naphthalenes and naphthoquinones
C04033 1,3,6,8-Naphthalenetetrol
BRITE hierarchy
Other DBs
CAS:
18512-30-6
PubChem:
6737
ChEBI:
18365
KNApSAcK:
C00000548
PDB-CCD:
QW8
[
PDBj
]
3DMET:
B00666
NIKKAJI:
J240.067G
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KCF data
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ATOM 14
1 C8y C 18.4037 -16.1587
2 C8y C 18.4037 -14.7565
3 C8x C 17.1861 -16.8663
4 C8x C 19.6274 -16.8663
5 C8y C 17.1861 -14.0681
6 C8y C 19.6211 -14.0426
7 C8y C 15.9879 -16.1587
8 C8y C 20.8513 -16.1652
9 C8x C 15.9879 -14.7565
10 O1a O 17.1861 -12.6784
11 C8x C 20.8448 -14.7500
12 O1a O 19.6147 -12.6594
13 O1a O 14.7831 -16.8471
14 O1a O 22.0559 -16.8599
BOND 15
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 4 8 2
8 5 9 2
9 5 10 1
10 6 11 2
11 6 12 1
12 7 13 1
13 8 14 1
14 7 9 1
15 8 11 1
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