| Entry |
|
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| Name |
|
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| Formula |
C42H41O24
|
|---|
| Exact mass |
929.1988
|
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| Mol weight |
929.7605
|
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| Structure |
|
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| Reaction |
|
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| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12647 Salvianin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12647 Salvianin
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C12647 Salvianin
|
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| Other DBs |
|
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| KCF data |
ATOM 66
1 C1b C 28.4588 -18.7251
2 O7a O 27.2453 -19.4245
3 C7a C 27.2320 -20.8219
4 C2b C 26.0107 -21.5146
5 O6a O 28.4399 -21.5376
6 C2b C 25.9994 -22.9136
7 C8y C 24.7792 -23.6011
8 C8x C 23.5841 -22.8917
9 C8x C 22.3639 -23.5793
10 C8y C 22.3528 -24.9807
11 C8y C 23.5617 -25.6947
12 C8x C 24.7749 -25.0001
13 O1a O 21.1324 -25.6752
14 C1y C 20.1281 -16.6271
15 O2x O 18.9174 -15.9290
16 C1y C 17.7026 -16.6262
17 C1y C 17.7026 -18.0277
18 C1y C 18.9174 -18.7320
19 C1y C 20.1320 -18.0277
20 O1a O 21.3477 -18.7303
21 O1a O 18.9174 -20.1336
22 O7a O 16.4879 -18.7320
23 C1b C 16.4879 -15.9290
24 C8y C 24.8181 -12.4008
25 C8y C 24.8121 -13.8066
26 C8y C 26.0433 -11.7014
27 O2x O 23.6115 -11.6897 #+
28 O2a O 25.9208 -14.4490
29 C8x C 23.5999 -14.5073
30 C8x C 27.2627 -12.4066
31 C8x C 26.0433 -10.2896
32 C8y C 22.3864 -12.3892
33 C1y C 27.2394 -15.2184
34 C8y C 22.3805 -13.7950
35 C8x C 28.4879 -11.7071
36 C8x C 27.2686 -9.5831
37 C8x C 21.1668 -11.6840
38 O2x O 27.2394 -16.6185
39 C1y C 28.4588 -14.5189
40 C8y C 21.1668 -14.5015
41 C8y C 28.4936 -10.2954
42 C8y C 19.9475 -12.3892
43 C1y C 28.4588 -17.3248
44 C1y C 29.6665 -15.2184
45 O1a O 28.4588 -13.1189
46 C8x C 19.9475 -13.7950
47 O1a O 29.7072 -9.5948
48 O1a O 18.7340 -11.6956
49 C1y C 29.6665 -16.6185
50 O1a O 30.8859 -14.5189
51 O1a O 30.8859 -17.3191
52 O2a O 21.1684 -15.9031
53 O7a O 15.2802 -16.6261
54 O1a O 23.5522 -27.0890
55 C7a C 14.0727 -15.9286
56 C1b C 12.8649 -16.6257
57 O6a O 14.0728 -14.5341
58 C6a C 11.6574 -15.9283
59 O6a O 10.4495 -16.6254
60 O6a O 11.6576 -14.5338
61 C7a C 15.1898 -19.6409
62 O6a O 15.1898 -21.0353
63 C1b C 13.9821 -18.9436
64 C6a C 12.7744 -19.6409
65 O6a O 11.5667 -18.9436
66 O6a O 12.7744 -21.0353
BOND 71
1 12 7 1
2 30 35 1
3 31 36 2
4 32 37 1
5 33 38 1
6 33 39 1
7 34 40 1
8 35 41 2
9 37 42 2
10 38 43 1
11 39 44 1
12 39 45 1 #Down
13 40 46 2
14 41 47 1
15 42 48 1
16 43 49 1
17 43 1 1 #Up
18 44 50 1 #Up
19 49 51 1 #Down
20 32 34 2
21 36 41 1
22 42 46 1
23 44 49 1
24 24 25 1
25 24 26 1
26 24 27 2
27 25 28 1
28 25 29 2
29 26 30 2
30 26 31 1
31 27 32 1
32 33 28 1 #Up
33 29 34 1
34 19 20 1 #Down
35 40 52 1
36 18 21 1 #Up
37 17 22 1 #Down
38 16 23 1 #Up
39 14 15 1
40 15 16 1
41 16 17 1
42 17 18 1
43 18 19 1
44 19 14 1
45 14 52 1 #Up
46 23 53 1
47 11 54 1
48 10 13 1
49 53 55 1
50 6 7 1
51 55 56 1
52 1 2 1
53 55 57 2
54 2 3 1
55 56 58 1
56 3 4 1
57 58 59 2
58 3 5 2
59 58 60 1
60 4 6 2
61 7 8 2
62 8 9 1
63 9 10 2
64 10 11 1
65 11 12 2
66 61 62 2
67 61 63 1
68 63 64 1
69 64 65 2
70 64 66 1
71 22 61 1
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