COMPOUND: C12330
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Entry
C12330 Compound
Name
2,3,9,10-Tetrahydroxyberbine
Formula
C17H17NO4
Exact mass
299.1158
Mol weight
299.3212
Structure
Mol file
KCF file
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Other DBs
PubChem:
582720
ChEBI:
31071
NIKKAJI:
J2.535.362E
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KCF data
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ATOM 22
1 C1y C 28.0554 -20.2705
2 C8y C 26.9099 -20.9658
3 N1y N 29.2768 -20.9541
4 C1x C 28.0437 -18.8738
5 C8y C 26.8457 -22.3684
6 C8x C 25.6360 -20.2645
7 C1x C 30.4806 -20.2471
8 C1x C 29.2826 -22.3626
9 C8y C 29.2534 -18.1609
10 C1x C 28.0671 -23.0697
11 C8x C 25.6360 -23.0756
12 C8y C 24.4146 -20.9658
13 C8y C 30.4689 -18.8504
14 C8x C 29.2417 -16.7640
15 C8y C 24.4146 -22.3684
16 O1a O 23.2049 -20.2645
17 C8y C 31.6729 -18.1375
18 C8x C 30.4398 -16.0627
19 O1a O 23.2049 -23.0756
20 C8y C 31.6552 -16.7407
21 O1a O 32.8883 -18.8271
22 O1a O 32.8592 -16.0336
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 1
13 9 14 1
14 11 15 1
15 12 16 1
16 13 17 1
17 14 18 2
18 15 19 1
19 17 20 2
20 17 21 1
21 20 22 1
22 8 10 1
23 9 13 2
24 12 15 2
25 18 20 1
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