| Entry |
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| Name |
4'''-Demalonylsalvianin;
Monodemalonylsalvianin
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| Formula |
C39H39O21
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| Exact mass |
843.1984
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| Mol weight |
843.7144
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| Structure |
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| Reaction |
R06799 R06800
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| Pathway |
| map00942 | Anthocyanin biosynthesis |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
2.3.1.172 2.3.1.214
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK12 Flavonoids
PK1201 Anthocyanidins
C12641 4'''-Demalonylsalvianin
Phytochemical compounds [BR:br08003]
Flavonoids
Flavonoids
Anthocyanidins and anthocyanins
C12641 4'''-Demalonylsalvianin
Glycosides [BR:br08021]
O-glycosides
Anthocyanin glycosides
Glycosylated pelargonidin
C12641 4'''-Demalonylsalvianin
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| Other DBs |
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| KCF data |
ATOM 60
1 C1b C 33.5388 -34.0451
2 O7a O 32.3258 -34.7443
3 C7a C 32.3125 -36.1411
4 C2b C 31.0917 -36.8336
5 O6a O 33.5199 -36.8565
6 C2b C 31.0804 -38.2321
7 C8y C 29.8606 -38.9193
8 C8x C 28.6660 -38.2102
9 C8x C 27.4462 -38.8975
10 C8y C 27.4350 -40.2984
11 C8y C 28.6435 -41.0122
12 C8x C 29.8563 -40.3179
13 O1a O 26.2151 -40.9927
14 C1y C 25.2112 -31.9478
15 O2x O 24.0009 -31.2500
16 C1y C 22.7865 -31.9470
17 C1y C 22.7865 -33.3479
18 C1y C 24.0009 -34.0520
19 C1y C 25.2151 -33.3479
20 O1a O 26.4303 -34.0503
21 O1a O 24.0009 -35.4531
22 O1a O 21.5723 -34.0520
23 C1b C 21.5723 -31.2500
24 C8y C 29.8994 -27.7231
25 C8y C 29.8935 -29.1284
26 C8y C 31.1243 -27.0239
27 O2x O 28.6933 -27.0123 #+
28 O2a O 31.0018 -29.7705
29 C8x C 28.6817 -29.8288
30 C8x C 32.3432 -27.7289
31 C8x C 31.1243 -25.6127
32 C8y C 27.4687 -27.7115
33 C1y C 32.3199 -30.5397
34 C8y C 27.4627 -29.1168
35 C8x C 33.5679 -27.0297
36 C8x C 32.3491 -24.9064
37 C8x C 26.2495 -27.0065
38 O2x O 32.3199 -31.9392
39 C1y C 33.5388 -29.8405
40 C8y C 26.2495 -29.8231
41 C8y C 33.5737 -25.6184
42 C8y C 25.0306 -27.7115
43 C1y C 33.5388 -32.6453
44 C1y C 34.7461 -30.5397
45 O1a O 33.5388 -28.4409
46 C8x C 25.0306 -29.1168
47 O1a O 34.7869 -24.9181
48 O1a O 23.8176 -27.0182
49 C1y C 34.7461 -31.9392
50 O1a O 35.9651 -29.8405
51 O1a O 35.9651 -32.6396
52 O2a O 26.2511 -31.2241
53 O7a O 20.3650 -31.9468
54 O1a O 28.6340 -42.4060
55 C7a C 19.1579 -31.2497
56 C1b C 17.9506 -31.9465
57 O6a O 19.1581 -29.8557
58 C6a C 16.7434 -31.2493
59 O6a O 15.5361 -31.9461
60 O6a O 16.7435 -29.8553
BOND 65
1 4 6 2
2 7 8 2
3 8 9 1
4 9 10 2
5 10 11 1
6 11 12 2
7 12 7 1
8 30 35 1
9 31 36 2
10 32 37 1
11 33 38 1
12 33 39 1
13 34 40 1
14 35 41 2
15 37 42 2
16 38 43 1
17 39 44 1
18 39 45 1 #Down
19 40 46 2
20 41 47 1
21 42 48 1
22 43 49 1
23 43 1 1 #Up
24 44 50 1 #Up
25 49 51 1 #Down
26 32 34 2
27 36 41 1
28 42 46 1
29 44 49 1
30 24 25 1
31 24 26 1
32 24 27 2
33 25 28 1
34 25 29 2
35 26 30 2
36 26 31 1
37 27 32 1
38 33 28 1 #Up
39 29 34 1
40 19 20 1 #Down
41 40 52 1
42 18 21 1 #Up
43 17 22 1 #Down
44 16 23 1 #Up
45 14 15 1
46 15 16 1
47 16 17 1
48 17 18 1
49 18 19 1
50 19 14 1
51 14 52 1 #Up
52 23 53 1
53 11 54 1
54 10 13 1
55 53 55 1
56 6 7 1
57 55 56 1
58 1 2 1
59 55 57 2
60 2 3 1
61 56 58 1
62 3 4 1
63 58 59 2
64 3 5 2
65 58 60 1
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