| Entry |
|
|---|
| Name |
(S)-Autumnaline;
Autumnaline
|
|---|
| Formula |
C21H27NO5
|
|---|
| Exact mass |
373.1889
|
|---|
| Mol weight |
373.44
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01063 | Biosynthesis of alkaloids derived from shikimate pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Enzyme |
1.14.21.-
|
|---|
| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C16707 (S)-Autumnaline
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C8y C 19.1100 -11.4100
2 C8y C 19.1100 -12.8100
3 C8x C 20.3224 -13.5100
4 C8y C 21.5349 -12.8100
5 C8y C 21.5349 -11.4100
6 C8x C 20.3224 -10.7100
7 C1y C 22.7473 -13.5100
8 N1y N 23.9597 -12.8100
9 C1x C 23.9597 -11.4100
10 C1x C 22.7473 -10.7100
11 C1b C 23.7373 -14.4999
12 C1b C 23.3749 -15.8522
13 C8y C 22.1625 -16.5522
14 C8x C 20.9500 -15.8522
15 C8y C 19.7376 -16.5522
16 C8y C 19.7376 -17.9522
17 C8y C 20.9500 -18.6522
18 C8x C 22.1625 -17.9522
19 O2a O 17.8976 -10.7100
20 C1a C 16.7021 -11.4004
21 O1a O 17.8976 -13.5100
22 C1a C 25.1573 -13.5015
23 O2a O 18.5131 -15.8456
24 C1a C 17.2878 -16.5539
25 O2a O 18.5410 -18.6427
26 C1a C 18.5410 -20.0427
27 O1a O 20.9496 -20.0199
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 7 11 1
13 11 12 1
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 1 19 1
22 19 20 1
23 2 21 1
24 8 22 1
25 15 23 1
26 23 24 1
27 16 25 1
28 25 26 1
29 17 27 1
|
|---|
