COMPOUND: C20594
Help
Entry
C20594 Compound
Name
20,21-Diprenylterpendole J
Formula
C42H59NO5
Exact mass
657.4393
Mol weight
657.9216
Structure
Mol file
KCF file
DB search
Comment
hypothetical intermediate of lolitrem E synthesis (see [RN:
R10369
+
R10367
])
Reaction
R10384
R10692
Pathway
map00403
Indole diterpene alkaloid biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem:
254741163
LinkDB
All DBs
KCF data
Show
ATOM 48
1 C2b C 11.4100 -14.1400
2 C1b C 11.4100 -15.5400
3 C2c C 10.2200 -13.4400
4 C1a C 9.0300 -14.1400
5 C1a C 9.8700 -12.1100
6 C8y C 12.6700 -16.1700
7 C8x C 12.6700 -17.5700
8 C8x C 13.8600 -18.2700
9 C8y C 15.0500 -17.5700
10 C8y C 15.0500 -16.1700
11 C8y C 13.8600 -15.4700
12 N4x N 16.4500 -18.0600
13 C8y C 17.2900 -16.8700
14 C8y C 16.4500 -15.7500
15 C1z C 18.5500 -16.4500
16 C1y C 18.5500 -15.1200
17 C1x C 17.2900 -14.7000
18 C1z C 19.8100 -17.0800
19 C1z C 21.0000 -16.4500
20 C1x C 21.0000 -15.1200
21 C1x C 19.8100 -14.4200
22 C1x C 19.8100 -18.5500
23 C1x C 21.0000 -19.2500
24 C1y C 22.1900 -18.5500
25 C1z C 22.1900 -17.0800
26 O2x O 23.3100 -19.2500
27 C1y C 24.5000 -18.5500
28 C1y C 24.5000 -17.0800
29 C1y C 23.3100 -16.4500
30 C1a C 18.6200 -17.9200
31 C1d C 25.7600 -19.2500
32 C1a C 19.2500 -15.6100
33 O2a O 26.9500 -18.5500
34 C1a C 25.7600 -20.8600
35 C1a C 26.9500 -19.9500
36 O2x O 23.3100 -17.8500
37 O1a O 25.6900 -16.3800
38 O1a O 21.9800 -15.4700
39 C1b C 26.9500 -17.1500
40 C2b C 28.1400 -16.4500
41 C2c C 28.1400 -15.1200
42 C1a C 29.3300 -14.4200
43 C1a C 26.9500 -14.3500
44 C1b C 13.8600 -14.1400
45 C2b C 12.6000 -13.4400
46 C2c C 12.6000 -12.0400
47 C1a C 13.7900 -11.3400
48 C1a C 11.6200 -11.0600
BOND 54
1 1 2 1
2 1 3 2
3 3 4 1
4 3 5 1
5 6 7 2
6 7 8 1
7 8 9 2
8 9 10 1
9 10 11 2
10 6 11 1
11 9 12 1
12 12 13 1
13 13 14 2
14 10 14 1
15 13 15 1
16 15 16 1
17 16 17 1
18 14 17 1
19 15 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 16 21 1
24 18 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 19 25 1
29 24 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 25 29 1
34 15 30 1 #Down
35 27 31 1 #Up
36 18 32 1 #Up
37 31 33 1
38 31 34 1
39 31 35 1
40 25 36 1 #Down
41 29 36 1 #Down
42 28 37 1 #Down
43 19 38 1 #Down
44 33 39 1
45 39 40 1
46 40 41 2
47 41 42 1
48 41 43 1
49 11 44 1
50 44 45 1
51 45 46 2
52 46 47 1
53 46 48 1
54 2 6 1
» Japanese version
DBGET
integrated database retrieval system