COMPOUND: C08661
Help
Entry
C08661 Compound
Name
Avadharidine;
Aconitane-7,8-diol, 4-(((2-((4-amino-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-1,6,14,16-tetramethoxy-, (1alpha,6beta,14alpha,16beta)-
Formula
C36H51N3O10
Exact mass
685.3574
Mol weight
685.8042
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Alkaloids
Alkaloids derived by amination reactions
Terpenoid alkaloids
C08661 Avadharidine
BRITE hierarchy
Other DBs
CAS:
509-16-0
PubChem:
10854
ChEBI:
2934
KNApSAcK:
C00001617
3DMET:
B02309
NIKKAJI:
J39.312F
LinkDB
All DBs
KCF data
Show
ATOM 49
1 C1z C 28.0341 -15.8052
2 C1y C 28.0341 -17.1512
3 C1y C 28.0225 -14.4069
4 C1y C 28.9955 -15.0361
5 C1y C 26.8864 -15.1470
6 C1z C 26.8864 -17.8094
7 C1y C 29.0420 -17.9434
8 C1z C 30.3006 -17.6347
9 N1y N 26.4028 -16.5627
10 C1y C 30.2306 -15.3217
11 C1x C 28.8847 -13.7777
12 C1x C 25.7270 -15.8052
13 O2a O 26.8864 -13.8069
14 C1x C 26.4086 -18.9631
15 C1x C 25.7270 -17.1452
16 C1b C 27.3990 -18.9631
17 O2a O 28.7507 -19.2427
18 C1z C 30.8249 -16.4170
19 O1a O 31.0871 -18.7068
20 C1b C 25.1909 -15.8635
21 C1y C 30.8772 -14.2379
22 C1y C 30.0383 -13.2884
23 C1a C 25.7327 -13.1427
24 O7a O 27.3933 -20.2972
25 C1a C 30.0211 -20.2099
26 C1x C 32.3862 -15.7003
27 O1a O 31.9785 -17.0812
28 C1a C 23.9907 -16.5627
29 O2a O 33.1379 -13.1078
30 C1y C 31.2968 -13.2825
31 C7a C 26.3619 -20.8857
32 C1a C 34.2274 -13.7311
33 O2a O 32.0949 -12.0704
34 C8y C 26.3562 -22.0801
35 O6a O 25.3308 -20.2855
36 C1a C 31.4247 -10.7827
37 C8y C 25.3249 -22.6627
38 C8x C 27.3757 -22.6743
39 N1b N 24.2994 -22.0627
40 C8x C 25.3132 -23.8454
41 C8x C 27.3699 -23.8629
42 C5a C 23.2683 -22.6452
43 C8x C 26.3386 -24.4572
44 C1b C 22.2486 -22.0568
45 O5a O 23.2624 -23.8221
46 C1b C 21.2291 -22.6393
47 C5a C 20.2094 -22.0451
48 N1a N 19.1899 -22.6336
49 O5a O 20.2037 -20.8624
BOND 55
1 1 2 1
2 1 3 1 #Down
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 8 3 1 #Down
8 3 9 1
9 4 10 1
10 4 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1 #Down
14 6 15 1
15 6 16 1 #Up
16 7 17 1 #Down
17 8 18 1
18 8 19 1
19 9 20 1
20 10 21 1
21 11 22 1
22 13 23 1
23 16 24 1
24 17 25 1
25 18 26 1
26 18 27 1 #Up
27 20 28 1
28 21 29 1 #Down
29 22 30 1
30 24 31 1
31 29 32 1
32 30 33 1 #Up
33 31 34 1
34 31 35 2
35 33 36 1
36 34 37 2
37 34 38 1
38 37 39 1
39 37 40 1
40 38 41 2
41 39 42 1
42 40 43 2
43 42 44 1
44 42 45 2
45 44 46 1
46 46 47 1
47 47 48 1
48 47 49 2
49 7 8 1
50 9 14 1
51 10 18 1
52 12 15 1
53 21 22 1
54 26 30 1
55 41 43 1
» Japanese version
DBGET
integrated database retrieval system