| Entry |
|
|---|
| Name |
(S)-Isoboldine;
(+)-Isoboldine;
Isoboldine;
2,10-Dimethoxy-6aalpha-aporphine-1,9-diol
|
|---|
| Formula |
C19H21NO4
|
|---|
| Exact mass |
327.1471
|
|---|
| Mol weight |
327.3743
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C09541 (S)-Isoboldine
|
|---|
| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 24
1 C8y C 27.3256 -15.6480
2 C8y C 26.1213 -16.3496
3 C1y C 28.5359 -16.3556
4 C8y C 27.3316 -14.2448
5 C8y C 26.1270 -17.7529
6 C8y C 24.9051 -15.6480
7 C1x C 28.5359 -17.7529
8 N1y N 29.7637 -15.6597
9 C8x C 26.1270 -13.5431
10 C1x C 28.5534 -13.5491
11 C8y C 27.3199 -18.4428
12 C8x C 24.9227 -18.4369
13 C8y C 24.9051 -14.2448
14 O1a O 23.6890 -16.3556
15 C1x C 29.7696 -14.2565
16 C1a C 30.9740 -16.3613
17 C8x C 27.3199 -19.8343
18 C8y C 24.9168 -19.8284
19 O2a O 23.6831 -13.5431
20 C8y C 26.1213 -20.5300
21 O2a O 23.6948 -20.5300
22 C1a C 22.4611 -14.2390
23 O1a O 26.1096 -21.9333
24 C1a C 22.4787 -19.8284
BOND 27
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
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 8 15 1
15 8 16 1
16 11 17 1
17 12 18 2
18 13 19 1
19 17 20 2
20 18 21 1
21 19 22 1
22 20 23 1
23 21 24 1
24 7 11 1
25 9 13 1
26 10 15 1
27 18 20 1
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