Entry |
|
Name |
Medicarpin 3-O-glucoside-6'-malonate
|
Formula |
C25H26O12
|
Exact mass |
518.1424
|
Mol weight |
518.4667
|
Structure |
|
Reaction |
|
Pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1207 Pterocarpans
C16224 Medicarpin 3-O-glucoside-6'-malonate
Phytochemical compounds [BR:br08003]
Flavonoids
Isoflavonoids
Pterocarpans
C16224 Medicarpin 3-O-glucoside-6'-malonate
|
Other DBs |
|
KCF data |
ATOM 37
1 C8y C 31.9900 -32.8300
2 C8x C 31.9900 -34.2300
3 C8x C 33.1100 -34.9300
4 C8y C 34.3700 -34.2300
5 C8y C 34.3700 -32.8300
6 C8x C 33.1100 -32.1300
7 C1y C 35.5600 -34.9300
8 C1y C 36.7500 -34.2300
9 C1x C 36.7500 -32.8300
10 O2x O 35.5600 -32.1300
11 O2x O 35.8400 -36.3300
12 C8y C 37.2400 -36.4700
13 C8y C 37.8000 -35.1400
14 C8x C 38.0800 -37.5900
15 C8y C 39.4800 -37.4500
16 C8x C 40.0400 -36.1200
17 C8x C 39.2000 -35.0000
18 O2a O 40.3200 -38.5700
19 C1a C 41.7200 -38.4300
20 O2a O 30.8000 -32.1300
21 C1y C 27.1600 -32.8300
22 C1y C 27.1600 -34.2300
23 C1y C 28.3500 -34.9300
24 C1y C 29.6100 -34.2300
25 C1y C 29.6100 -32.8300
26 O2x O 28.3500 -32.1300
27 C1b C 25.9000 -32.2000
28 O1a O 28.2800 -36.3300
29 O1a O 25.9000 -34.9300
30 O1a O 30.8000 -35.0000
31 O7a O 24.7100 -32.8300
32 C7a C 23.5241 -32.0860
33 C1b C 22.2945 -32.7368
34 C6a C 21.0950 -31.9836
35 O6a O 19.8353 -32.6499
36 O6a O 21.0950 -30.5836
37 O6a O 23.5241 -30.6860
BOND 41
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 7 11 1
13 11 12 1
14 12 13 1
15 8 13 1
16 12 14 2
17 14 15 1
18 15 16 2
19 16 17 1
20 13 17 2
21 15 18 1
22 18 19 1
23 1 20 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 21 26 1
30 25 20 1 #Up
31 21 27 1 #Up
32 23 28 1 #Up
33 22 29 1 #Down
34 24 30 1 #Down
35 27 31 1
36 31 32 1
37 32 33 1
38 33 34 1
39 34 35 1
40 34 36 2
41 32 37 2
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