 | | COMPOUND: C12246 | |
| Entry |
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| Name |
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| Formula |
C35H45NO10
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| Exact mass |
639.3043
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| Mol weight |
639.7325
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| Structure |
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| Reaction |
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| Pathway |
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK05 Ansamycins and related polyketides
C12246 Protorifamycin I
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| Other DBs |
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| KCF data |
ATOM 46
1 C8y C 29.3190 -22.4939
2 C8y C 28.2952 -23.0801
3 C8y C 29.3347 -21.3212
4 C5x C 30.3204 -23.0956
5 C8y C 27.2765 -22.3711
6 C5a C 28.2952 -24.2579
7 C5x C 30.3461 -20.7505
8 C8x C 28.3262 -20.6731
9 C2x C 31.3557 -22.5145
10 O5x O 30.3100 -24.2734
11 C8y C 27.3125 -21.2232
12 O5a O 29.1219 -25.0970
13 C2y C 31.3557 -21.3419
14 O5x O 30.3616 -19.5674
15 C1a C 27.2970 -20.0454
16 C2c C 25.0639 -24.3183
17 N1b N 32.3798 -20.7711
18 C5a C 32.3901 -19.5985
19 C2c C 33.4077 -19.0319
20 O5a O 31.3815 -19.0072
21 C2b C 33.4231 -17.8645
22 C2b C 32.4962 -17.2627
23 C1a C 34.4478 -19.6551
24 C1a C 24.1283 -25.0975
25 O1a O 26.2966 -22.9637
26 C2b C 32.4537 -16.0306
27 C1c C 31.3925 -15.3860
28 C1c C 30.3430 -16.0306
29 C1c C 29.2876 -15.4098
30 C1c C 28.2323 -16.0306
31 C1c C 27.1769 -15.4098
32 C1c C 26.1216 -16.0306
33 C1c C 25.0662 -15.4098
34 C1c C 23.9859 -16.0218
35 C1c C 23.9759 -17.2635
36 C2b C 25.0312 -17.8842
37 O1a O 26.1114 -17.2723
38 C1a C 31.3897 -14.1682
39 C1a C 27.1769 -14.1682
40 C1a C 29.2876 -14.1682
41 O1a O 28.2323 -17.2723
42 O1a O 30.3548 -17.2722
43 O1a O 22.9382 -15.4054
44 C1b C 22.8141 -17.9216
45 C1a C 25.0777 -14.0001
46 O1a O 21.6017 -17.2216
BOND 48
1 2 6 1
2 3 7 1
3 3 8 1
4 4 9 1
5 4 10 2
6 5 11 1
7 6 12 2
8 7 13 1
9 7 14 2
10 11 15 1
11 13 17 1
12 17 18 1
13 18 19 1
14 18 20 2
15 19 21 2
16 21 22 1
17 8 11 2
18 9 13 2
19 19 23 1
20 1 2 1
21 1 3 2
22 16 24 1
23 1 4 1
24 5 25 1
25 16 6 1
26 2 5 2
27 22 26 2
28 26 27 1
29 27 28 1
30 28 29 1
31 29 30 1
32 30 31 1
33 31 32 1
34 32 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 32 37 1 #Down
39 27 38 1 #Up
40 31 39 1 #Down
41 29 40 1 #Down
42 30 41 1 #Up
43 28 42 1 #Down
44 34 43 1 #Down
45 36 16 2
46 35 44 1 #Down
47 33 45 1 #Up
48 44 46 1
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