| Entry |
|
|---|
| Name |
Aristolochic acid;
Aristolochic acid I
|
|---|
| Formula |
C17H11NO7
|
|---|
| Exact mass |
341.0536
|
|---|
| Mol weight |
341.27
|
|---|
| Structure |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C08469 Aristolochic acid
Natural toxins [BR:br08009]
Phytotoxins
Alkaloids
Isoquinoline alkaloids
C08469 Aristolochic acid
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C8y C 28.0879 -16.9343
2 C8y C 29.2948 -16.2403
3 C8y C 28.0879 -18.3277
4 C8y C 26.8636 -16.2403
5 C8y C 30.5077 -16.9459
6 C8y C 29.2948 -14.8353
7 C8y C 29.2832 -19.0332
8 C8x C 26.8753 -19.0099
9 C8y C 26.8636 -14.8410
10 O2x O 25.5343 -16.6718
11 C8x C 30.4960 -18.3452
12 N2b N 31.7203 -16.2229 #+
13 C8x C 28.0879 -14.1297
14 C6a C 30.5134 -14.1182
15 C8y C 29.2657 -20.4266
16 C8x C 26.8636 -20.3976
17 O2x O 25.5343 -14.4097
18 C1x C 24.7179 -15.5407
19 O3a O 33.1489 -15.5116
20 O3a O 33.0789 -17.0683 #-
21 O6a O 31.7262 -14.8177
22 O6a O 30.5017 -12.7072
23 C8x C 28.0588 -21.1087
24 O2a O 30.4901 -21.1146
25 C1a C 31.7029 -20.3976
BOND 28
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 5 12 1
12 6 13 2
13 6 14 1
14 7 15 1
15 8 16 2
16 9 17 1
17 10 18 1
18 12 19 2
19 12 20 1
20 14 21 1
21 14 22 2
22 15 23 2
23 15 24 1
24 24 25 1
25 7 11 1
26 9 13 1
27 16 23 1
28 17 18 1
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