COMPOUND: C20151
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Entry
C20151 Compound
Name
10beta,14beta-Dihydroxytaxa-4(20),11-dien-5alpha-yl acetate;
5alpha-Acetoxy-10beta,14beta-dihydroxytaxadiene
Formula
C22H34O4
Exact mass
362.2457
Mol weight
362.50
Structure
Mol file
KCF file
DB search
Reaction
R06319
R09867
Pathway
map00904
Diterpenoid biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.13.146
Other DBs
PubChem:
135626611
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KCF data
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ATOM 26
1 C1y C 19.1550 -16.5791
2 C2y C 20.2612 -17.2086
3 C1x C 18.3725 -17.4439
4 C1z C 19.1550 -15.3018
5 C1y C 21.3673 -16.5791
6 C2a C 20.2497 -18.5890
7 C1y C 15.9037 -17.4267
8 C1x C 17.4838 -14.2359
9 C1x C 20.2612 -14.6719
10 C1a C 19.1710 -13.8136
11 O7a O 22.4445 -17.3061
12 C1x C 21.3673 -15.3018
13 C1z C 15.9037 -16.1428
14 C1y C 14.7975 -18.0679
15 C1y C 14.8033 -14.2415
16 C2y C 14.7975 -15.5130
17 C1a C 16.9755 -15.1699
18 C1a C 16.9616 -16.6410
19 C1x C 13.6918 -17.4267
20 O1a O 13.6975 -13.6073
21 C2y C 13.6918 -16.1428
22 C1a C 12.5926 -15.5130
23 C7a C 23.6130 -16.7368
24 C1a C 24.7310 -17.3747
25 O6a O 23.5849 -15.4502
26 O1a O 14.7972 -19.4597
BOND 28
1 2 6 2
2 3 7 1
3 4 8 1
4 4 9 1
5 4 10 1 #Up
6 5 11 1 #Down
7 5 12 1
8 7 13 1
9 7 14 1
10 8 15 1
11 13 16 1
12 13 17 1
13 13 18 1
14 14 19 1
15 15 20 1 #Up
16 16 21 2
17 21 22 1
18 9 12 1
19 15 16 1
20 19 21 1
21 1 2 1
22 1 3 1
23 11 23 1
24 1 4 1
25 23 24 1
26 2 5 1
27 23 25 2
28 14 26 1 #Up
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