Entry |
|
Name |
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
|
Formula |
C45H38O18
|
Exact mass |
866.2058
|
Mol weight |
866.7724
|
Structure |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1203 Proanthocyanidins
C10239 Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
Phytochemical compounds [BR:br08003]
Flavonoids
Complex flavonoids
Proanthocyanidins
C10239 Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol
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Other DBs |
|
LinkDB |
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KCF data |
ATOM 63
1 C1y C 23.5371 -19.5799
2 C8y C 23.5312 -20.9841
3 C1y C 22.3251 -18.8689
4 C8y C 22.3135 -21.6717
5 C8x C 24.7374 -21.6717
6 C1y C 21.1073 -19.5623
7 O1a O 22.3366 -17.7445
8 O2x O 21.0956 -20.9667
9 C8x C 22.3135 -23.0760
10 C8x C 24.7374 -23.0760
11 C8y C 23.5254 -23.7812
12 O1a O 23.5312 -25.1797
13 C8y C 19.8951 -18.8573
14 C8x C 19.9068 -17.4530
15 C8x C 18.6772 -19.5506
16 C8y C 18.6948 -16.7537
17 C8y C 17.4710 -18.8397
18 C8y C 17.4769 -17.4413
19 O1a O 18.7065 -15.3493
20 O1a O 16.2474 -19.5390
21 O1a O 16.2648 -16.7362
22 C8y C 24.7484 -18.8895
23 C1y C 25.9729 -15.3959
24 C8y C 24.7724 -14.6850
25 C1y C 27.1965 -14.6967
26 C8y C 24.7841 -13.2865
27 C8x C 23.5545 -15.3726
28 C1y C 27.2024 -13.2981
29 O1a O 28.4027 -15.4135
30 O2x O 25.9903 -12.5931
31 C8x C 23.5837 -12.5815
32 C8x C 22.3483 -14.6617
33 C8y C 22.3659 -13.2632
34 O1a O 21.1596 -12.5522
35 C8y C 28.4123 -12.6056
36 C8x C 29.6263 -13.3157
37 C8x C 28.4203 -11.2120
38 C8y C 30.8442 -12.6281
39 C8y C 29.6439 -10.5129
40 C8y C 30.8501 -11.2237
41 O1a O 32.0504 -13.3331
42 O1a O 29.6497 -9.1158
43 O1a O 32.0680 -10.5303
44 C8y C 25.9729 -16.7945
45 C8y C 27.1848 -17.4995
46 C8y C 24.7607 -17.4821
47 C8y C 27.1674 -18.8922
48 O2x O 28.3970 -16.8178
49 O1a O 23.5488 -16.7071
50 C8y C 25.9553 -19.5973
51 C1x C 28.3677 -19.6032
52 C1y C 29.5973 -17.5228
53 O1a O 25.9495 -20.9958
54 C1y C 29.5856 -18.9156
55 O1a O 30.7918 -19.6322
56 C8y C 30.8101 -16.8354
57 C8x C 32.0214 -17.5461
58 C8x C 30.8268 -15.4367
59 C8y C 33.2392 -16.8585
60 C8x C 32.0447 -14.7433
61 C8y C 33.2567 -15.4600
62 O1a O 34.4455 -17.5694
63 O1a O 34.4745 -14.7666
BOND 71
1 25 28 1
2 25 29 1 #Up
3 26 30 1
4 26 31 1
5 27 32 2
6 31 33 2
7 33 34 1
8 28 30 1
9 32 33 1
10 4 8 1
11 28 35 1 #Down
12 4 9 1
13 13 14 2
14 13 15 1
15 14 16 1
16 15 17 2
17 16 18 2
18 16 19 1
19 17 20 1
20 35 36 2
21 35 37 1
22 36 38 1
23 37 39 2
24 38 40 2
25 38 41 1
26 39 42 1
27 40 43 1
28 39 40 1
29 18 21 1
30 23 44 1 #Down
31 17 18 1
32 5 10 2
33 1 22 1 #Down
34 9 11 2
35 11 12 1
36 6 8 1
37 10 11 1
38 6 13 1 #Down
39 1 2 1
40 1 3 1
41 44 45 1
42 44 46 2
43 45 47 2
44 45 48 1
45 46 22 1
46 46 49 1
47 47 50 1
48 47 51 1
49 48 52 1
50 50 53 1
51 51 54 1
52 54 55 1 #Up
53 22 50 2
54 52 54 1
55 2 4 2
56 52 56 1 #Down
57 2 5 1
58 3 6 1
59 3 7 1 #Up
60 23 24 1
61 23 25 1
62 24 26 2
63 24 27 1
64 56 57 2
65 56 58 1
66 57 59 1
67 58 60 2
68 59 61 2
69 59 62 1
70 61 63 1
71 60 61 1
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