COMPOUND: C21822
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Entry
C21822 Compound
Name
Sugiol;
12-Hydroxyabieta-8,11,13-trien-7-one
Formula
C20H28O2
Exact mass
300.2089
Mol weight
300.43
Structure
Mol file
KCF file
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Reaction
R11977
R11988
Pathway
map00904
Diterpenoid biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.14.60
1.14.14.65
Other DBs
CAS:
511-05-7
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KCF data
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ATOM 22
1 C8y C 18.0120 -15.8394
2 C1z C 16.8206 -16.4701
3 C8y C 19.2035 -16.5402
4 C8x C 18.0120 -14.4376
5 C1y C 16.8206 -17.8718
6 C1x C 15.6291 -15.8394
7 C1a C 16.8206 -14.9983
8 C8x C 20.3949 -15.8394
9 C5x C 19.2035 -17.8718
10 C8y C 19.2035 -13.7368
11 C1z C 15.6291 -18.5727
12 C1x C 18.0120 -18.5727
13 C1x C 14.4376 -16.4701
14 C8y C 20.3949 -14.4376
15 O1a O 19.2036 -12.3351
16 C1x C 14.4376 -17.8718
17 C1a C 14.7881 -19.9744
18 C1a C 16.3300 -20.0445
19 C1c C 21.6565 -13.7368
20 C1a C 22.8479 -14.4376
21 C1a C 21.6565 -12.4052
22 O5x O 20.4159 -18.5718
BOND 24
1 1 2 1
2 1 3 2
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
9 4 10 2
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 2
14 10 15 1
15 11 16 1
16 11 17 1
17 11 18 1
18 14 19 1
19 19 20 1
20 19 21 1
21 9 12 1
22 10 14 1
23 13 16 1
24 9 22 2
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