 | | COMPOUND: C18073 | |
| Entry |
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| Name |
N1,N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine
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| Formula |
C38H45N3O12
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| Exact mass |
735.3003
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| Mol weight |
735.7768
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| Structure |
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| Reaction |
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
2.1.1.-
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| Other DBs |
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| KCF data |
ATOM 53
1 C8y C 8.1888 -14.6280
2 C8y C 8.1888 -16.0278
3 C8y C 9.4012 -16.7277
4 C8x C 10.6135 -16.0278
5 C8y C 10.6135 -14.6280
6 C8x C 9.4012 -13.9281
7 C2b C 11.8507 -13.9281
8 C2b C 13.0630 -14.6280
9 C5a C 14.2754 -13.9281
10 N1b N 15.4877 -14.6280
11 C1b C 16.7000 -13.9281
12 C1b C 17.9122 -14.6280
13 C1b C 19.1244 -13.9281
14 N1c N 20.3368 -14.6280
15 C1b C 21.5491 -13.9281
16 C1b C 22.7613 -14.6280
17 C1b C 23.9736 -13.9281
18 C1b C 25.1858 -14.6280
19 N1b N 26.3982 -13.9281
20 C5a C 27.6104 -14.6280
21 C2b C 28.8226 -13.9281
22 C2b C 30.0350 -14.6280
23 C8y C 31.2472 -13.9281
24 O1a O 6.9766 -16.7277
25 O5a O 14.2754 -12.5282
26 C5a C 20.3368 -16.0278
27 O5a O 19.1475 -16.7146
28 C2b C 21.5719 -16.7410
29 C2b C 21.5719 -18.1410
30 C8y C 22.7840 -18.8409
31 C8x C 22.7840 -20.2406
32 C8y C 23.9964 -20.9405
33 C8y C 25.2086 -20.2406
34 C8y C 25.2086 -18.8409
35 C8x C 23.9964 -18.1410
36 O1a O 26.4062 -20.9319
37 O5a O 27.6104 -16.0274
38 C8x C 32.4595 -14.6280
39 C8y C 33.6718 -13.9281
40 C8y C 33.6718 -12.5282
41 C8y C 32.4595 -11.8283
42 C8x C 31.2472 -12.5282
43 O1a O 34.8793 -11.8310
44 O2a O 6.9764 -13.9279
45 O2a O 26.4173 -18.1430
46 O2a O 34.8787 -14.6249
47 C1a C 5.7818 -14.6176
48 C1a C 27.6399 -18.8491
49 C1a C 36.1156 -13.9104
50 O1a O 9.4012 -18.1298
51 O1a O 23.9965 -22.3299
52 O2a O 32.4596 -10.4301
53 C1a C 33.6873 -9.7212
BOND 55
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 2
23 22 23 1
24 2 24 1
25 9 25 2
26 14 26 1
27 26 27 2
28 26 28 1
29 28 29 2
30 29 30 1
31 30 31 1
32 31 32 2
33 32 33 1
34 33 34 2
35 34 35 1
36 30 35 2
37 33 36 1
38 20 37 2
39 23 38 2
40 38 39 1
41 39 40 2
42 40 41 1
43 41 42 2
44 23 42 1
45 40 43 1
46 1 44 1
47 34 45 1
48 39 46 1
49 44 47 1
50 45 48 1
51 46 49 1
52 3 50 1
53 32 51 1
54 41 52 1
55 52 53 1
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