COMPOUND: C14441
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Entry
C14441 Compound
Name
16-Ketoestrone;
3-Hydroxy-1,3,5(10)-estratriene-16,17-dione
Formula
C18H20O3
Exact mass
284.1412
Mol weight
284.3496
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C14441 16-Ketoestrone
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Other DBs
CAS:
1228-73-5
PubChem:
17395441
ChEBI:
34166
LIPIDMAPS:
LMST02010048
NIKKAJI:
J2.292.550D
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KCF data
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ATOM 21
1 C8x C 24.6710 -17.9233
2 C8y C 24.6710 -19.2838
3 C8x C 25.8492 -19.9639
4 C8y C 27.0273 -19.2838
5 C8y C 27.0273 -17.9233
6 C8x C 25.8492 -17.2432
7 C1x C 28.2055 -19.9639
8 C1x C 29.3836 -19.2838
9 C1y C 29.3836 -17.9233
10 C1y C 28.2055 -17.2432
11 C1y C 30.5619 -17.2432
12 C1z C 30.5619 -15.8827
13 C1x C 29.3836 -15.2025
14 C1x C 28.2055 -15.8827
15 C1x C 32.9181 -17.2432
16 C5x C 32.9181 -15.8827
17 C5x C 31.7399 -15.2025
18 C1a C 30.5889 -14.5224
19 O5x O 31.6751 -13.8421
20 O1a O 23.4513 -19.9882
21 O5x O 34.1167 -15.1907
BOND 24
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 17 19 2
23 2 20 1
24 16 21 2
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