COMPOUND: C19828
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Entry
C19828 Compound
Name
Arabidiol;
(13R,14R,17E)-Malabarica-17,21-diene-3beta,14-diol
Formula
C30H52O2
Exact mass
444.3967
Mol weight
444.73
Structure
Mol file
KCF file
DB search
Reaction
R09700
Pathway
map00909
Sesquiterpenoid and triterpenoid biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
4.2.1.124
Other DBs
PubChem:
135626295
LinkDB
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KCF data
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ATOM 32
1 C1x C 20.3000 -31.4300
2 C1y C 20.3000 -32.7600
3 C1z C 21.4900 -33.4600
4 C1y C 22.6800 -32.7600
5 C1x C 22.6800 -31.4300
6 C1z C 19.1100 -33.4600
7 C1y C 19.1100 -34.8600
8 C1x C 20.3000 -35.4900
9 C1x C 21.4900 -34.8600
10 C1x C 17.9200 -32.7600
11 C1x C 16.7300 -33.4600
12 C1y C 16.7300 -34.8600
13 C1z C 17.9200 -35.4900
14 O1a O 15.5400 -35.4900
15 C1a C 19.1100 -32.0600
16 C1d C 23.8700 -33.4600
17 C1b C 25.0600 -32.7600
18 C1b C 26.2500 -33.4600
19 C2b C 27.3700 -32.7600
20 C2c C 28.5600 -33.4600
21 C1b C 29.7500 -32.7600
22 C1b C 30.9400 -33.4600
23 C2b C 32.1300 -32.7600
24 C2c C 33.3200 -33.4600
25 C1a C 34.5100 -32.7600
26 C1a C 28.5600 -34.8600
27 C1a C 33.3200 -34.8600
28 C1a C 17.2200 -36.8200
29 C1a C 18.6200 -36.8200
30 C1a C 23.8700 -34.8600
31 O1a O 25.0824 -34.1600
32 C1a C 22.1900 -34.6724
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 3 9 1
11 6 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 7 13 1
16 12 14 1 #Up
17 6 15 1 #Up
18 4 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 2
27 24 25 1
28 20 26 1
29 24 27 1
30 13 28 1
31 13 29 1
32 16 30 1 #Down
33 16 31 1 #Up
34 3 32 1 #Up
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