| Entry |
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| Name |
Trifolirhizin;
(-)-Maackiain 3-O-glucoside
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| Formula |
C22H22O10
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| Exact mass |
446.1213
|
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| Mol weight |
446.4041
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| Structure |
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| Reaction |
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| Pathway |
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1207 Pterocarpans
C10538 Trifolirhizin
Phytochemical compounds [BR:br08003]
Flavonoids
Isoflavonoids
Pterocarpans
C10538 Trifolirhizin
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 32
1 C1y C 27.8481 -17.0401
2 C1y C 29.0587 -16.3442
3 C8y C 26.6608 -16.3383
4 O2x O 28.1288 -18.4029
5 C8y C 30.0881 -17.2859
6 C1x C 29.0647 -14.9580
7 C8y C 26.6668 -14.9465
8 C8x C 25.4736 -17.0343
9 C8y C 29.5090 -18.5491
10 C8x C 31.4741 -17.1514
11 O2x O 27.8657 -14.2621
12 C8x C 25.4736 -14.2563
13 C8x C 24.2689 -16.3325
14 C8x C 30.3162 -19.6895
15 C8y C 32.2813 -18.2918
16 C8y C 24.2689 -14.9465
17 C8y C 31.7022 -19.5608
18 O2x O 33.6673 -18.4497
19 O2a O 22.9412 -14.0516
20 O2x O 32.7258 -20.5142
21 C1x C 33.9482 -19.8300
22 C1y C 21.6194 -14.8937
23 O2x O 20.4264 -14.1978
24 C1y C 21.6194 -16.2740
25 C1y C 19.2275 -14.8937
26 C1y C 20.4264 -16.9700
27 O1a O 22.8241 -16.9700
28 C1y C 19.2275 -16.2740
29 C1b C 18.0226 -14.1978
30 O1a O 20.4264 -18.3561
31 O1a O 18.0226 -16.9700
32 O1a O 16.8236 -14.8879
BOND 37
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 2
13 9 14 1
14 10 15 2
15 12 16 2
16 14 17 2
17 15 18 1
18 16 19 1
19 17 20 1
20 18 21 1
21 22 19 1 #Up
22 22 23 1
23 22 24 1
24 23 25 1
25 24 26 1
26 24 27 1 #Down
27 25 28 1
28 25 29 1 #Up
29 26 30 1 #Up
30 28 31 1 #Down
31 29 32 1
32 5 9 2
33 7 11 1
34 13 16 1
35 15 17 1
36 20 21 1
37 26 28 1
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