Entry |
|
Name |
|
Formula |
C47H78O14. Na
|
Exact mass |
889.5289
|
Mol weight |
890.1036
|
Structure |
|
Sequence |
0 Man 1 Mte 2 Mtd 3 Mae 4 Mtn 5 Mtk 6 Mad 7 Mte 8 Man 9 Mak 10 Mtk 11 Mtd 12 Mtn 13 Mte 14 Mtn |
Gene |
|
Organism |
Streptomyces nanchangensis |
Type |
PK |
Brite |
Glycosides [BR:br08021]
O-glycosides
Iridoid glycosides
C12047 Nanchangmycin
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 62
1 C1z C 32.6448 -20.2536
2 O2x O 33.9078 -21.2857
3 C1y C 33.3409 -19.1453
4 C1y C 35.2527 -20.3477
5 C1x C 34.6448 -19.1919
6 C1y C 36.7665 -20.3462
7 O2x O 37.4095 -21.4795
8 C1y C 37.4212 -19.2255
9 C1z C 38.7143 -21.4925
10 C1x C 38.7201 -19.2313
11 C1a C 36.7607 -18.0792
12 C1y C 39.3690 -20.3649
13 C1b C 40.0538 -21.4795
14 O1a O 38.7084 -22.8262
15 C1a C 40.6864 -20.3590
16 O1a O 40.7271 -22.6432
17 C1a C 33.3270 -17.8349
18 C1z C 25.9010 -20.2835
19 O2x O 27.1999 -21.2631
20 O2x O 25.2393 -21.4110
21 C1x C 26.5498 -19.1443
22 C1x C 25.2452 -19.1501
23 C1z C 28.5105 -20.2776
24 C1y C 23.9347 -21.4052
25 C1x C 27.8546 -19.1443
26 C1y C 23.9463 -19.1501
27 C1c C 23.2800 -22.5387
28 C1y C 23.2916 -20.2776
29 O1a O 23.2857 -17.9979
30 C2b C 21.9694 -22.5387
31 C1a C 23.9230 -23.6663
32 C1a C 21.9811 -20.2660
33 C2c C 21.3107 -23.6737
34 C5a C 20.0002 -23.6737
35 C1a C 21.9694 -24.8088
36 C1y C 30.0216 -20.2727
37 C1x C 30.0145 -18.7533
38 C1y C 31.3226 -17.9876
39 C1y C 32.6377 -18.7412
40 O2x O 31.3366 -21.0193
41 O2a O 31.3155 -16.4753
42 C1y C 29.9305 -15.7219
43 O2x O 29.9863 -14.2094
44 C1y C 28.6607 -13.4621
45 C1y C 27.3632 -14.2339
46 C1x C 27.3772 -15.7531
47 C1x C 28.6958 -16.4935
48 C1a C 28.6467 -11.9496
49 O2a O 26.0376 -13.4933
50 C1a C 26.0234 -11.9739
51 C1c C 19.3413 -24.8088
52 C1b C 18.0213 -24.7957
53 C1c C 17.3536 -25.9324
54 O5a O 19.3413 -22.5387
55 C1a C 19.9946 -25.9469
56 C1a C 17.9987 -27.0819
57 C6a C 16.0237 -25.9282
58 O6a O 15.3694 -24.7734
59 O6a O 15.3623 -27.0718
60 C1a C 28.5022 -21.7851
61 C1a C 32.6240 -17.2270
62 Z Na 43.8900 -21.8400
BOND 66
1 18 22 1
2 10 12 1
3 30 33 2
4 4 6 1
5 33 34 1
6 1 3 1
7 33 35 1
8 3 17 1 #Up
9 23 36 1
10 4 2 1
11 36 37 1
12 3 5 1
13 37 38 1
14 4 5 1
15 38 39 1
16 39 1 1
17 1 2 1 #Up
18 1 40 1 #Down
19 36 40 1
20 6 7 1
21 6 8 1
22 38 41 1 #Down
23 7 9 1
24 42 41 1 #Down
25 8 10 1
26 42 43 1
27 8 11 1 #Up
28 43 44 1
29 9 12 1
30 44 45 1
31 9 13 1 #Down
32 45 46 1
33 9 14 1 #Up
34 46 47 1
35 42 47 1
36 12 15 1 #Up
37 44 48 1 #Down
38 13 16 1
39 45 49 1 #Down
40 23 19 1
41 49 50 1
42 24 20 1
43 34 51 1
44 21 25 1
45 51 52 1
46 22 26 1
47 52 53 1
48 24 27 1
49 34 54 2
50 24 28 1
51 51 55 1 #Down
52 26 29 1 #Up
53 53 56 1 #Down
54 27 30 1
55 53 57 1
56 27 31 1 #Up
57 57 58 2
58 28 32 1 #Down
59 57 59 1
60 23 25 1
61 26 28 1
62 23 60 1 #Down
63 18 19 1 #Up
64 39 61 1 #Up
65 18 20 1
66 18 21 1 #Down
|