Entry |
|
Name |
27-O-Demethyl-25-O-desacetylrifamycin SV;
Demethyl-desacetyl-rifamycin SV
|
Formula |
C34H43NO11
|
Exact mass |
641.2836
|
Mol weight |
641.7053
|
Structure |
|
Reaction |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK05 Ansamycins and related polyketides
C14725 27-O-Demethyl-25-O-desacetylrifamycin SV
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 46
1 C8y C 26.8219 -18.4820
2 C8y C 25.5857 -16.4473
3 C8y C 25.6499 -17.8004
4 C8x C 27.9229 -17.8104
5 C8y C 24.4918 -18.4769
6 C5x C 24.4932 -19.8324
7 C8y C 23.3053 -17.8156
8 C1c C 22.1449 -15.7894
9 C8y C 23.3089 -16.4725
10 C8y C 24.4840 -15.8087
11 C1c C 22.0860 -14.4427
12 C1c C 23.3309 -13.7789
13 C1c C 24.5189 -11.7744
14 C1c C 23.3446 -12.4346
15 C1c C 25.6725 -12.4583
16 O1a O 25.6573 -13.6565
17 C1c C 26.8421 -11.8025
18 C2b C 27.9895 -12.4847
19 C2c C 30.2879 -13.8464
20 C2b C 30.3047 -12.5135
21 C2b C 29.1554 -11.8328
22 C5a C 29.1221 -14.4984
23 C8y C 26.8025 -15.7825
24 C8y C 27.9417 -16.4660
25 N1b N 29.0980 -15.8240
26 O5x O 25.4494 -20.7245
27 C1c C 20.9729 -16.4614
28 C2b C 20.9696 -17.8093
29 C2b C 19.7977 -18.4732
30 O2a O 19.7884 -19.8174
31 C1z C 22.1159 -19.8336
32 O2x O 22.1252 -18.4893
33 C1a C 22.1074 -21.1830
34 C1a C 31.4474 -14.5377
35 O1a O 19.8003 -15.8508
36 C1a C 20.9706 -14.8998
37 C1a C 24.5258 -10.4214
38 C1a C 26.8574 -10.4494
39 O1a O 22.1781 -11.7367
40 O1a O 26.8127 -14.4295
41 O1a O 24.4718 -14.4525
42 C1a C 22.0797 -12.7522
43 O1a O 26.8161 -19.8351
44 O5a O 27.9646 -13.8040
45 C1a C 22.6747 -15.2274
46 O1a O 20.9277 -13.7193
BOND 49
1 9 10 2
2 23 24 2
3 24 25 1
4 25 22 1
5 12 11 1
6 6 26 2
7 11 8 1
8 28 27 1
9 23 2 1
10 5 3 1
11 15 13 1
12 13 14 1
13 28 29 2
14 29 30 1
15 31 32 1
16 30 31 1
17 31 6 1
18 14 12 1
19 31 33 1
20 5 7 2
21 19 34 1
22 6 5 1
23 27 35 1 #Down
24 2 10 1
25 15 16 1 #Down
26 8 36 1 #Down
27 14 39 1 #Down
28 18 17 1
29 13 37 1 #Down
30 17 15 1
31 17 38 1 #Up
32 32 7 1
33 7 9 1
34 8 27 1
35 2 3 2
36 22 19 1
37 19 20 2
38 23 40 1
39 20 21 1
40 10 41 1
41 21 18 2
42 12 42 1 #Up
43 3 1 1
44 1 43 1
45 1 4 2
46 22 44 2
47 4 24 1
48 9 45 1
49 11 46 1 #Up
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