COMPOUND: C20532
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Entry
C20532 Compound
Name
20,21-Diprenylterpendole I
Formula
C37H51NO5
Exact mass
589.3767
Mol weight
589.80
Structure
Mol file
KCF file
DB search
Reaction
R10367
R10369
Pathway
map00403
Indole diterpene alkaloid biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem:
172232278
ChEBI:
181372
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KCF data
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ATOM 43
1 C8y C 13.2870 -16.4063
2 C8x C 13.2870 -17.7994
3 C8x C 14.4712 -18.4960
4 C8y C 15.6553 -17.7994
5 C8y C 15.6553 -16.4063
6 C8y C 14.4712 -15.7097
7 N4x N 17.0484 -18.2870
8 C8y C 17.8843 -17.1028
9 C8y C 17.0484 -15.9883
10 C1z C 19.1381 -16.6849
11 C1y C 19.1381 -15.2918
12 C1x C 17.8843 -14.8739
13 C1z C 20.3919 -17.3118
14 C1z C 21.5761 -16.6849
15 C1x C 21.5761 -15.2918
16 C1x C 20.3919 -14.5952
17 C1x C 20.3919 -18.7746
18 C1x C 21.5761 -19.4711
19 C1y C 22.7602 -18.7746
20 C1z C 22.7602 -17.3118
21 O2x O 23.9444 -19.4711
22 C1y C 25.1285 -18.7746
23 C1y C 25.1285 -17.3118
24 C1y C 23.9444 -16.6849
25 C1a C 19.2078 -18.1477
26 C1d C 26.3823 -19.4711
27 C1a C 19.8347 -15.8490
28 O1a O 27.5665 -18.7746
29 C1a C 26.3823 -21.0732
30 C1a C 27.5665 -20.1677
31 O2x O 23.9444 -18.0780
32 O1a O 26.3127 -16.6152
33 O1a O 22.5513 -15.7097
34 C1b C 14.4598 -14.3166
35 C2b C 13.2477 -13.6299
36 C2b C 12.0636 -14.3265
37 C1b C 12.0749 -15.7196
38 C2c C 13.2364 -12.2368
39 C2c C 10.8515 -13.6398
40 C1a C 14.4272 -11.5361
41 C1a C 9.6576 -14.3419
42 C1a C 12.2514 -11.2518
43 C1a C 10.4910 -12.2941
BOND 49
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 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 9 12 1
15 10 13 1
16 13 14 1
17 14 15 1
18 15 16 1
19 11 16 1
20 13 17 1
21 17 18 1
22 18 19 1
23 19 20 1
24 14 20 1
25 19 21 1
26 21 22 1
27 22 23 1
28 23 24 1
29 20 24 1
30 10 25 1 #Down
31 22 26 1 #Up
32 13 27 1 #Up
33 26 28 1
34 26 29 1
35 26 30 1
36 20 31 1 #Down
37 24 31 1 #Down
38 23 32 1 #Down
39 14 33 1 #Down
40 6 34 1
41 34 35 1
42 36 37 1
43 1 37 1
44 35 38 2
45 36 39 2
46 38 40 1
47 39 41 1
48 38 42 1
49 39 43 1
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