| Entry |
|
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| Name |
4'-O-Desmethyl-3-O-acetylpapaveroxine;
3-O-Acetyl-4'-O-demethylpapaveroxine
|
|---|
| Formula |
C23H25NO8
|
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| Exact mass |
443.1580
|
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| Mol weight |
443.45
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Module |
| M00946 | Noscapine biosynthesis, (S)-reticuline => noscapine |
|
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| Enzyme |
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 32
1 C1y C 18.5239 -15.4481
2 C8y C 17.2656 -14.7491
3 N1y N 19.7122 -14.7491
4 C1c C 18.5239 -16.9161
5 C8y C 17.2656 -13.3511
6 C8y C 16.0773 -15.4481
7 C1x C 19.7122 -13.3511
8 C1a C 20.6908 -13.5606
9 C8y C 19.7122 -17.5452
10 C8x C 16.0773 -12.6521
11 C1x C 18.4539 -12.6521
12 C8y C 14.7492 -14.8191
13 C8y C 20.9005 -16.8462
14 C8x C 19.7121 -18.9432
15 C8y C 14.7492 -13.4210
16 O2x O 13.4910 -15.2385
17 C8y C 22.0888 -17.5452
18 C8x C 20.9704 -19.6422
19 O2x O 13.4211 -13.0016
20 C1x C 12.6521 -14.1200
21 C8y C 22.0888 -18.9432
22 O2a O 23.2772 -16.8462
23 O2a O 23.2772 -19.6422
24 C1a C 24.4655 -17.5452
25 C1a C 24.5353 -18.9432
26 O1a O 16.0773 -16.9161
27 O7a O 17.2656 -17.6151
28 C7a C 17.2656 -19.0131
29 C1a C 16.1472 -19.7121
30 O6a O 18.5239 -19.7121
31 C4a C 20.9005 -15.4453
32 O4a O 22.0781 -14.7660
BOND 35
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 2
10 5 11 1
11 6 12 1
12 9 14 1
13 10 15 1
14 12 16 1
15 13 17 1
16 14 18 2
17 15 19 1
18 16 20 1
19 17 21 2
20 17 22 1
21 21 23 1
22 22 24 1
23 23 25 1
24 7 11 1
25 9 13 2
26 12 15 2
27 18 21 1
28 19 20 1
29 6 26 1
30 27 28 1
31 4 27 1 #Down
32 28 29 1
33 28 30 2
34 13 31 1
35 31 32 2
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