COMPOUND: C11446
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Entry
C11446 Compound
Name
4-Dihydroxyethyl-8,9-epoxy-enediyne
Formula
C14H10O3
Exact mass
226.063
Mol weight
226.2274
Structure
Mol file
KCF file
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Other DBs
PubChem:
13618
ChEBI:
1826
NIKKAJI:
J2.774.464H
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KCF data
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ATOM 17
1 C2y C 29.8785 -19.7767
2 C1c C 31.1014 -19.0694
3 C1b C 32.3320 -19.7767
4 O1a O 31.1014 -17.6547
5 C1z C 25.4728 -19.8820
6 C2y C 25.8959 -18.5812
7 C2x C 24.7870 -17.7744
8 C2x C 23.6785 -18.5812
9 C2x C 24.1014 -19.8820
10 C0 C 27.2628 -18.9933
11 C0 C 28.5670 -19.3814
12 C2x C 29.8833 -20.9868
13 C0 C 28.7075 -21.4748
14 C0 C 27.1925 -21.4745
15 C1y C 25.8135 -21.4720
16 O2x O 24.4353 -20.9353
17 O1a O 33.5344 -19.0796
BOND 19
1 7 8 1
2 8 9 2
3 9 5 1
4 2 3 1
5 6 10 1
6 1 2 1
7 10 11 3
8 11 1 1
9 2 4 1 #Up
10 1 12 2
11 12 13 1
12 13 14 3
13 5 6 1
14 5 15 1
15 14 15 1
16 6 7 2
17 5 16 1 #Down
18 15 16 1 #Down
19 3 17 1
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