COMPOUND: C12331
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Entry
C12331 Compound
Name
2,3,9,10-Tetrahydroxyberberine
Formula
C17H14NO4
Exact mass
296.0923
Mol weight
296.2974
Structure
Mol file
KCF file
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Other DBs
PubChem:
582721
ChEBI:
31070
NIKKAJI:
J1.648.556J
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KCF data
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ATOM 22
1 C8y C 28.0554 -20.2889
2 C8y C 26.9099 -20.9843
3 N5y N 29.2768 -20.9726 #+
4 C8x C 28.0437 -18.8923
5 C8y C 26.8457 -22.3869
6 C8x C 25.6360 -20.2830
7 C8x C 30.4806 -20.2655
8 C1x C 29.2826 -22.3811
9 C8y C 29.2534 -18.1793
10 C1x C 28.0671 -23.0881
11 C8x C 25.6360 -23.0941
12 C8y C 24.4146 -20.9843
13 C8y C 30.4689 -18.8689
14 C8x C 29.2417 -16.7825
15 C8y C 24.4146 -22.3869
16 O1a O 23.2049 -20.2830
17 C8y C 31.6729 -18.1559
18 C8x C 30.4398 -16.0812
19 O1a O 23.2049 -23.0941
20 C8y C 31.6552 -16.7591
21 O1a O 32.8883 -18.8455
22 O1a O 32.8592 -16.0520
BOND 25
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 9 14 1
14 11 15 2
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 1
25 18 20 1
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