| Entry |
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| Name |
Deacetylipecoside;
N-Deacetylipecoside
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| Formula |
C25H33NO11
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| Exact mass |
523.2054
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| Mol weight |
523.5296
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| Structure |
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| Reaction |
|
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| Pathway |
| map00950 | Isoquinoline alkaloid biosynthesis |
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| Enzyme |
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from tyrosine
Isoquinoline alkaloids
C07307 Deacetylipecoside
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| Other DBs |
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| KCF data |
ATOM 37
1 C1y C 26.0671 -15.2544
2 C8y C 24.8672 -14.5501
3 N1x N 27.2717 -14.5618
4 C8y C 24.8731 -13.1648
5 C8x C 23.6801 -15.2485
6 C1x C 27.2776 -13.1764
7 C1x C 26.0787 -12.4779
8 C8x C 23.6801 -12.4722
9 C8y C 22.4755 -14.5501
10 C8y C 22.4755 -13.1648
11 O1a O 21.2640 -15.2427
12 O1a O 21.2640 -12.4722
13 C1y C 27.2639 -19.6782
14 C1y C 27.2639 -18.3148
15 C1y C 28.4276 -20.3649
16 C2b C 26.1000 -20.3475
17 C2y C 28.4276 -17.6398
18 C1b C 26.0720 -17.6258
19 O2a O 29.4000 -21.9180
20 O2x O 29.6101 -19.6782
21 C2a C 24.9351 -19.6665
22 C2x C 29.6101 -18.3148
23 C7a C 28.4218 -16.3011
24 C1y C 27.6765 -22.7506
25 O7a O 29.5925 -15.6259
26 O6a O 27.2522 -15.6318
27 O2x O 26.5129 -22.0754
28 C1y C 27.6765 -24.0893
29 C1a C 30.7504 -16.3011
30 C1y C 25.3491 -22.7506
31 C1y C 26.5129 -24.7703
32 O1a O 28.8532 -24.7703
33 C1y C 25.3491 -24.0893
34 C1b C 24.1901 -22.0754
35 O1a O 26.5129 -26.1090
36 O1a O 24.1901 -24.7703
37 O1a O 23.1603 -22.9431
BOND 40
1 1 2 1
2 1 3 1
3 2 4 2
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1
8 5 9 2
9 8 10 2
10 9 11 1
11 10 12 1
12 6 7 1
13 9 10 1
14 13 14 1
15 13 15 1
16 13 16 1
17 14 17 1
18 14 18 1
19 15 19 1 #Up
20 15 20 1
21 16 21 2
22 17 22 2
23 17 23 1
24 24 19 1 #Up
25 23 25 1
26 23 26 2
27 24 27 1
28 24 28 1
29 25 29 1
30 27 30 1
31 28 31 1
32 28 32 1 #Down
33 30 33 1
34 30 34 1 #Up
35 31 35 1 #Up
36 33 36 1 #Down
37 34 37 1
38 20 22 1
39 31 33 1
40 18 1 1
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