COMPOUND: C20716
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Entry
C20716 Compound
Name
Protopanaxatriol;
Dammar-24-ene-3beta,6alpha,12beta,20-tetrol
Formula
C30H52O4
Exact mass
476.3866
Mol weight
476.7315
Structure
Mol file
KCF file
DB search
Reaction
R10591
R12388
R12995
Pathway
map00999
Biosynthesis of various plant secondary metabolites
Enzyme
1.14.14.121
2.4.1.366
2.4.1.367
Other DBs
CAS:
34080-08-5
PubChem:
254741185
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KCF data
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ATOM 34
1 C1y C 18.7600 -17.0100
2 C1z C 19.9500 -17.7100
3 C1z C 17.5000 -17.7100
4 C1x C 18.7600 -15.6800
5 C1z C 21.2100 -17.0100
6 C1x C 19.9500 -19.1100
7 C1a C 21.2800 -19.1800
8 C1y C 17.5000 -19.1100
9 C1a C 17.5000 -16.3100
10 C1y C 19.9500 -14.9800
11 C1y C 21.2100 -15.6800
12 C1x C 23.5200 -17.0100
13 C1a C 22.4700 -18.2700
14 C1y C 18.7600 -19.8100
15 C1y C 22.3300 -15.0500
16 C1x C 23.5200 -15.6800
17 C1d C 22.3300 -13.6500
18 C1b C 23.5200 -13.0200
19 O1a O 21.2100 -13.0200
20 C1a C 22.3300 -12.3200
21 C1b C 24.7100 -13.6500
22 C2b C 25.9000 -12.9500
23 C2c C 27.0200 -13.6500
24 C1a C 28.2100 -12.9500
25 C1a C 27.0200 -14.9800
26 O1a O 19.9500 -13.8600
27 O1a O 18.8300 -21.2100
28 C1x C 16.3100 -17.0100
29 C1x C 15.1200 -17.7100
30 C1y C 15.1200 -19.1100
31 C1z C 16.3100 -19.8100
32 O1a O 13.8600 -19.8100
33 C1a C 15.6100 -21.0000
34 C1a C 16.6600 -21.1400
BOND 37
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 5 13 1 #Down
13 6 14 1
14 11 15 1
15 12 16 1
16 15 17 1
17 17 18 1
18 17 19 1 #Up
19 17 20 1 #Down
20 18 21 1
21 21 22 1
22 22 23 2
23 23 24 1
24 23 25 1
25 8 14 1
26 10 11 1
27 15 16 1
28 10 26 1 #Up
29 14 27 1 #Down
30 3 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 8 31 1
35 30 32 1 #Up
36 31 33 1
37 31 34 1
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