| Entry |
|
|---|
| Name |
Abietate;
Abietic acid;
Abieta-7,13-dien-18-oate
|
|---|
| Formula |
C20H30O2
|
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| Exact mass |
302.2246
|
|---|
| Mol weight |
302.451
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010405 Abietane diterpenoids
C06087 Abietic acid
Phytochemical compounds [BR:br08003]
Terpenoids
Diterpenoids (C20)
Abietanes
C06087 Abietate
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C06087
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 22
1 C1y C 25.1196 -21.8846
2 C1z C 25.1260 -20.4809
3 C1z C 23.9091 -22.5864
4 C1x C 26.3365 -22.5929
5 C1y C 26.3494 -19.7792
6 C1x C 23.9091 -19.7726
7 C1a C 25.1131 -19.0710
8 C1x C 22.6858 -21.8846
9 C6a C 23.1469 -23.7728
10 C1a C 24.6068 -24.0786
11 C2x C 27.5534 -21.8976
12 C2y C 27.5599 -20.4938
13 C1x C 26.2922 -18.3627
14 C1x C 22.6858 -20.4809
15 O6a O 23.7982 -25.0095
16 O6a O 21.7423 -23.7194
17 C2x C 28.7897 -19.7921
18 C1x C 27.5855 -17.6672
19 C2y C 28.8025 -18.3820
20 C1c C 30.0065 -17.6672
21 C1a C 30.0000 -16.2702
22 C1a C 31.2105 -18.3691
BOND 24
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 #Down
9 3 10 1 #Up
10 4 11 1
11 5 12 1
12 5 13 1
13 6 14 1
14 9 15 1
15 9 16 2
16 12 17 1
17 13 18 1
18 17 19 2
19 19 20 1
20 20 21 1
21 20 22 1
22 8 14 1
23 11 12 2
24 18 19 1
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