COMPOUND: C20195
Help
Entry
C20195 Compound
Name
Tirucalla-7,24-dien-3beta-ol
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.7174
Structure
Mol file
KCF file
DB search
Reaction
R09916
Pathway
map00909
Sesquiterpenoid and triterpenoid biosynthesis
Enzyme
5.4.99.56
Other DBs
PubChem:
163311938
LinkDB
All DBs
KCF data
Show
ATOM 31
1 C1x C 12.6402 -16.9261
2 C1y C 12.6402 -18.3023
3 C1z C 13.8321 -18.9906
4 C1y C 15.0242 -18.3023
5 C1z C 15.0242 -16.9261
6 C1x C 13.8321 -16.2378
7 C1x C 16.2160 -18.9906
8 C2x C 17.4080 -18.3023
9 C2y C 17.4080 -16.9261
10 C1y C 16.2160 -16.2378
11 C1z C 18.6001 -16.2378
12 C1z C 18.6001 -14.8615
13 C1x C 17.4080 -14.1732
14 C1x C 16.2160 -14.8615
15 O1a O 11.4482 -18.9906
16 C1a C 13.1439 -20.2514
17 C1a C 14.5202 -20.2514
18 C1a C 15.0242 -15.5497
19 C1x C 20.9798 -16.2378
20 C1x C 20.9798 -14.8615
21 C1y C 19.7900 -14.1745
22 C1a C 18.6001 -17.6117
23 C1a C 18.6001 -13.4876
24 C1c C 19.7900 -12.8006
25 C1b C 20.9666 -12.1208
26 C1a C 18.5628 -12.0926
27 C1b C 22.1832 -12.8408
28 C2b C 23.3731 -12.1539
29 C2c C 24.5629 -12.8408
30 C1a C 25.7548 -12.1527
31 C1a C 24.5629 -14.2147
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 1 #Up
18 3 16 1
19 3 17 1
20 5 18 1 #Up
21 11 19 1
22 19 20 1
23 20 21 1
24 12 21 1
25 11 22 1 #Up
26 12 23 1 #Down
27 21 24 1
28 24 25 1
29 24 26 1 #Up
30 25 27 1
31 27 28 1
32 28 29 2
33 29 30 1
34 29 31 1
» Japanese version
DBGET
integrated database retrieval system