 | | COMPOUND: C11961 | |
| Entry |
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| Name |
6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
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| Formula |
C33H46O7
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| Exact mass |
554.3244
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| Mol weight |
554.7141
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| Structure |
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| Reaction |
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| Pathway |
| map00522 | Biosynthesis of 12-, 14- and 16-membered macrolides |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00777 | Avermectin biosynthesis, 2-methylbutanoyl-CoA/isobutyryl-CoA => 6,8a-Seco-6,8a-deoxy-5-oxoavermectin 1a/1b aglycone => avermectin A1a/B1a/A1b/B1b |
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| Enzyme |
1.14.-.-
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| Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C11961 6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone
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| Other DBs |
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| KCF data |
ATOM 40
1 C1z C 26.0262 -15.9392
2 O2x O 27.2315 -16.6360
3 C1y C 28.4376 -15.9403
4 C1y C 28.4384 -14.5478
5 C2x C 27.2328 -13.8511
6 C2x C 26.0267 -14.5468
7 C1x C 22.3864 -15.2425
8 C2x C 21.1710 -15.9392
9 C2y C 19.9545 -15.2369
10 C1y C 18.7383 -15.9392
11 C1y C 18.7383 -17.3436
12 C1y C 23.6015 -15.9392
13 C1x C 26.0283 -17.3540
14 O2x O 24.8209 -15.2420
15 C1y C 24.8089 -18.0512
16 C1x C 23.6031 -17.3460
17 O7x O 24.8012 -19.4479
18 C2x C 19.9580 -18.0438
19 C2x C 19.9577 -19.4445
20 C2x C 21.1688 -20.1373
21 C2y C 21.1611 -21.5356
22 C7x C 23.5909 -20.1506
23 C1y C 23.5832 -21.5491
24 C1z C 22.3731 -22.2363
25 C1x C 22.3633 -23.6282
26 C5x C 23.5638 -24.3323
27 C2y C 24.7739 -23.6449
28 C2x C 24.7837 -22.2533
29 C1a C 19.9545 -13.8323
30 O1a O 17.5218 -15.2369
31 C1a C 17.5226 -18.0475
32 C1a C 19.9428 -22.2341
33 O1a O 22.4942 -20.8274
34 O5x O 23.5540 -25.7370
35 C1a C 25.9853 -24.3557
36 O6a O 22.3757 -19.4466
37 C1a C 29.6551 -13.8463
38 C1c C 29.6538 -16.6432
39 C1a C 29.6530 -18.0477
40 C1a C 30.8705 -15.9413
BOND 43
1 18 19 2
2 19 20 1
3 4 5 1
4 8 9 2
5 9 10 1
6 20 21 2
7 21 24 1
8 23 22 1 #Down
9 10 11 1
10 11 18 1
11 5 6 2
12 1 6 1 #Up
13 12 16 1
14 23 24 1
15 24 25 1
16 25 26 1
17 26 27 1
18 27 28 2
19 28 23 1
20 15 13 1
21 9 29 1
22 13 1 1
23 10 30 1 #Down
24 1 14 1
25 11 31 1 #Down
26 14 12 1
27 21 32 1
28 12 7 1 #Up
29 24 33 1 #Down
30 7 8 1
31 26 34 2
32 1 2 1 #Down
33 27 35 1
34 15 16 1
35 22 36 2
36 22 17 1
37 4 37 1 #Down
38 15 17 1 #Up
39 3 38 1 #Up
40 2 3 1
41 38 39 1
42 3 4 1
43 38 40 1
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