COMPOUND: C15325
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Entry
C15325 Compound
Name
6-Azaequilenin;
3-Hydroxy-6-azaestra-1,3,5(10),6,8-pentaen-17-one
Formula
C17H17NO2
Exact mass
267.1259
Mol weight
267.3224
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396322
ChEBI:
79827
NIKKAJI:
J81.987E
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KCF data
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ATOM 20
1 C1y C 28.8191 -19.5730
2 C8y C 27.6649 -20.2360
3 C1z C 28.8247 -18.2474
4 C1x C 31.2494 -19.6015
5 C8y C 26.5163 -19.5558
6 C8x C 27.6649 -21.5671
7 C1x C 27.6878 -17.5730
8 C5x C 29.9847 -17.5958
9 C1a C 28.8191 -16.7791
10 C1x C 31.1979 -18.2758
11 C8y C 25.3563 -20.2245
12 C1x C 26.5269 -18.2300
13 N5x N 26.5048 -22.2243
14 C8y C 25.3508 -21.5557
15 C8x C 24.2022 -19.5558
16 C8x C 24.2022 -22.2186
17 C8x C 22.9845 -20.2245
18 C8y C 22.9775 -21.5557
19 O1a O 21.7508 -22.3267
20 O5x O 29.9852 -16.3337
BOND 23
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 11 14 2
14 11 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 7 12 1
19 8 10 1
20 13 14 1
21 17 18 1
22 18 19 1
23 8 20 2
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