 | | COMPOUND: C12420 | |
| Entry |
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| Name |
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| Formula |
C21H18O7
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| Exact mass |
382.1053
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| Mol weight |
382.3634
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| Structure |
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| Reaction |
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| Pathway |
| map01057 | Biosynthesis of type II polyketide products |
| map01110 | Biosynthesis of secondary metabolites |
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| Module |
| M00781 | Nogalavinone/aklavinone biosynthesis, deoxynogalonate/deoxyaklanonate => nogalavinone/aklavinone |
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| Enzyme |
1.13.12.-
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| Other DBs |
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| KCF data |
ATOM 28
1 C8x C 21.1523 -17.6779
2 C8x C 21.1523 -19.2761
3 C8y C 22.3557 -19.9709
4 C8y C 23.5593 -19.2761
5 C8y C 23.5593 -17.6779
6 C8x C 22.3557 -16.9831
7 C5x C 24.7628 -19.9709
8 C8y C 25.9663 -19.2761
9 C8y C 25.9663 -17.6779
10 C1x C 24.7628 -16.9831
11 C8y C 27.1698 -19.9709
12 C8y C 28.3733 -19.2761
13 C8y C 28.3733 -17.6779
14 C8x C 27.1698 -16.9831
15 C1b C 29.5821 -16.9831
16 C6a C 30.7857 -17.6779
17 O6a O 31.9892 -16.9831
18 C5a C 29.5821 -19.9709
19 C1b C 30.7857 -19.2761
20 C5a C 31.9892 -19.9709
21 C1b C 33.1926 -19.2761
22 O5a O 29.5835 -21.3604
23 O5a O 31.9892 -21.3606
24 O6a O 30.8078 -18.5240
25 O5x O 24.7628 -21.3606
26 O1a O 22.3557 -21.3604
27 O1a O 27.1698 -21.3603
28 C1a C 34.3844 -19.9638
BOND 30
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 13 15 1
18 15 16 1
19 16 17 1
20 12 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 18 22 2
25 20 23 2
26 16 24 2
27 7 25 2
28 3 26 1
29 11 27 1
30 21 28 1
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