COMPOUND: C09954
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Entry
C09954 Compound
Name
Nepodin;
Musizin;
1-(1,8-Dihydroxy-3-methylnaphthalen-2-yl)ethanone
Formula
C13H12O3
Exact mass
216.0786
Mol weight
216.2326
Structure
Mol file
KCF file
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Other DBs
CAS:
3785-24-8
PubChem:
12140
ChEBI:
7520
KNApSAcK:
C00003007
3DMET:
B03409
NIKKAJI:
J13.245D
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KCF data
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ATOM 16
1 C8y C 26.7680 -19.5384
2 C8y C 26.7623 -18.1338
3 C8y C 27.9860 -20.2377
4 C8y C 25.5559 -20.2377
5 C8x C 27.9743 -17.4345
6 C8x C 25.5559 -17.4345
7 C8y C 29.1982 -19.5268
8 O1a O 27.9919 -21.6362
9 C8x C 24.3379 -19.5384
10 O1a O 25.5617 -21.6421
11 C8y C 29.1866 -18.1281
12 C8x C 24.3379 -18.1338
13 C5a C 30.4103 -20.2144
14 C1a C 30.3813 -17.4228
15 C1a C 31.6109 -19.5034
16 O5a O 30.3520 -21.6188
BOND 17
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 2
9 4 10 1
10 5 11 2
11 6 12 2
12 7 13 1
13 11 14 1
14 13 15 1
15 13 16 2
16 7 11 1
17 9 12 1
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