| | COMPOUND: C08983 | |
Entry |
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Name |
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Formula |
C48H78O18
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Exact mass |
942.5188
|
Mol weight |
943.1221
|
Structure |
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Reaction |
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Enzyme |
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Brite |
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Dammarenes
C08983 Soyasaponin I
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Other DBs |
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KCF data |
ATOM 66
1 C1y C 22.0948 -21.8843
2 C1y C 22.0672 -23.2689
3 O2x O 20.8663 -21.2234
4 O2a O 23.3658 -23.9365
5 C1y C 20.9493 -24.0071
6 C1y C 19.6744 -21.9379
7 C1y C 23.4067 -25.3353
8 C1y C 19.7206 -23.3393
9 O1a O 20.9825 -25.4081
10 C6a C 18.4407 -21.2743
11 C1y C 24.6377 -26.0039
12 O2x O 22.2010 -26.0632
13 O1a O 18.5172 -24.0820
14 O6a O 18.4065 -19.8873
15 O6a O 17.2554 -22.0133
16 O2a O 25.8215 -25.2783
17 C1y C 24.6708 -27.4050
18 C1y C 22.1751 -27.4687
19 C1y C 27.0346 -25.9436
20 C1y C 23.4788 -28.1393
21 O1a O 25.8878 -28.0806
22 C1b C 21.0420 -28.1985
23 C1y C 28.2172 -25.1861
24 O2x O 27.0348 -27.3519
25 O1a O 23.5092 -29.5454
26 C1y C 29.4620 -25.8292
27 O1a O 28.1491 -23.8005
28 C1y C 28.3574 -27.9889
29 C1y C 29.4619 -27.2237
30 O1a O 30.6355 -25.0637
31 C1a C 28.4328 -29.3853
32 O1a O 30.7807 -27.8547
33 C1y C 28.1636 -18.4104
34 C1z C 29.3653 -19.1193
35 C1z C 26.9490 -19.1077
36 C1x C 28.1053 -17.0145
37 C1z C 30.5681 -18.4220
38 C1x C 29.3653 -20.5152
39 C1a C 29.9765 -17.8516
40 C1y C 26.9431 -20.5036
41 C1x C 25.7272 -18.4046
42 C1a C 26.9373 -17.7060
43 C2x C 29.3828 -16.3217
44 C2y C 30.5856 -17.0318
45 C1x C 31.7713 -19.1368
46 C1a C 30.5565 -19.8179
47 C1x C 28.1520 -21.2079
48 C1z C 25.7272 -21.2020
49 C1x C 24.5139 -19.1077
50 C1y C 31.8060 -16.3579
51 C1x C 32.9845 -18.4580
52 C1y C 24.5139 -20.5036
53 C1b C 26.3031 -22.5574
54 C1a C 25.0196 -22.4168
55 C1z C 32.9962 -17.0680
56 C1x C 31.7535 -14.9678
57 O2a O 23.3134 -21.2020
58 C1y C 34.1967 -16.3927
59 C1a C 33.6830 -15.6721
60 C1z C 33.0381 -14.2877
61 C1x C 34.2142 -15.0027
62 O1a O 35.4127 -17.1027
63 C1a C 33.3947 -12.9365
64 C1a C 32.3210 -13.0767
65 O1a O 27.5451 -22.9901
66 O1a O 19.8178 -27.5208
BOND 73
1 1 2 1
2 1 3 1
3 2 4 1 #Down
4 2 5 1
5 3 6 1
6 7 4 1 #Up
7 5 8 1
8 5 9 1 #Up
9 6 10 1 #Up
10 7 11 1
11 7 12 1
12 8 13 1 #Down
13 10 14 1
14 10 15 2
15 11 16 1 #Down
16 11 17 1
17 12 18 1
18 19 16 1 #Up
19 17 20 1
20 17 21 1 #Up
21 18 22 1 #Up
22 19 23 1
23 19 24 1
24 20 25 1 #Up
25 23 26 1
26 23 27 1 #Down
27 24 28 1
28 26 29 1
29 26 30 1 #Down
30 28 31 1 #Down
31 29 32 1 #Up
32 6 8 1
33 18 20 1
34 33 34 1
35 33 35 1
36 33 36 1
37 34 37 1
38 34 38 1
39 34 39 1 #Up
40 35 40 1
41 35 41 1
42 35 42 1 #Up
43 36 43 1
44 37 44 1
45 37 45 1
46 37 46 1 #Down
47 38 47 1
48 40 48 1
49 41 49 1
50 44 50 1
51 45 51 1
52 48 52 1
53 48 53 1 #Up
54 48 54 1 #Down
55 50 55 1
56 50 56 1
57 52 57 1 #Up
58 55 58 1
59 55 59 1 #Up
60 56 60 1
61 58 61 1
62 58 62 1 #Up
63 60 63 1
64 60 64 1
65 40 47 1
66 43 44 2
67 49 52 1
68 51 55 1
69 60 61 1
70 1 57 1 #Up
71 28 29 1
72 53 65 1
73 22 66 1
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