| Entry |
|
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| Name |
|
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| Formula |
C40H56O4
|
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| Exact mass |
600.4179
|
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| Mol weight |
600.8702
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Module |
| M00372 | Abscisic acid biosynthesis, beta-carotene => abscisic acid |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0107 C40 isoprenoids (tetraterpenes)
C13431 9'-cis-Neoxanthin
Phytochemical compounds [BR:br08003]
Terpenoids
Carotenoids and apocarotenoids
Carotenoids
C13431 9'-cis-Neoxanthin
|
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| Other DBs |
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| KCF data |
ATOM 44
1 C2c C 14.3141 -21.3714
2 C2b C 14.3141 -19.9743
3 C1a C 13.0567 -22.0699
4 C2b C 13.0567 -19.3456
5 C1z C 13.0567 -17.8787
6 C1z C 14.2442 -17.1801
7 O2x O 14.2442 -18.5772
8 C1z C 11.8692 -17.2500
9 C1x C 14.2442 -15.8529
10 C1a C 15.5016 -17.8787
11 C1x C 11.8692 -15.8529
12 C1y C 13.0567 -15.1544
13 O1a O 12.9868 -13.7573
14 C2b C 15.5016 -22.0699
15 C2b C 16.6891 -21.3714
16 C2b C 17.9465 -22.0000
17 C2c C 19.1340 -21.3015
18 C2b C 20.3215 -22.0000
19 C2b C 21.5789 -21.3015
20 C2b C 22.7664 -22.0000
21 C2b C 23.9539 -21.2317
22 C2c C 25.2113 -21.9302
23 C2b C 26.3988 -21.2317
24 C2b C 27.5863 -21.9302
25 C2b C 28.8437 -21.2317
26 C2c C 30.0312 -21.9302
27 C2b C 31.2187 -21.1618
28 C0 C 32.4761 -21.8603
29 C1a C 19.1340 -19.9044
30 C1a C 25.2113 -23.3273
31 C1a C 30.0312 -23.3273
32 C2y C 33.6636 -22.5589
33 C1z C 34.8511 -21.8603
34 C1x C 36.1085 -22.5589
35 C1y C 36.1085 -23.9560
36 C1x C 34.9210 -24.6545
37 C1z C 33.6636 -23.9560
38 O1a O 37.2960 -24.5846
39 C1a C 35.8291 -20.8125
40 O1a O 34.5019 -20.4633
41 C1a C 10.4692 -17.2500
42 C1a C 11.5068 -18.6023
43 C1a C 32.4512 -24.6560
44 C1a C 33.6636 -25.3560
BOND 46
1 1 2 1
2 1 3 1
3 2 4 2
4 5 4 1
5 5 6 1
6 5 7 1 #Up
7 5 8 1
8 6 9 1
9 6 10 1 #Down
10 8 11 1
11 9 12 1
12 12 13 1 #Down
13 6 7 1 #Up
14 11 12 1
15 1 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 17 29 1
31 22 30 1
32 26 31 1
33 28 32 2
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 32 37 1
40 35 38 1 #Up
41 33 39 1 #Up
42 33 40 1 #Down
43 8 41 1
44 8 42 1
45 37 43 1
46 37 44 1
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