| | COMPOUND: C16979 | |
Entry |
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Name |
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Formula |
C19H18O11
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Exact mass |
422.0849
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Mol weight |
422.3396
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Structure |
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Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1306 Dibenzofurans, griseofulvins, dibenzopyrans and xanthones
C16979 Isomangiferin
Glycosides [BR:br08021]
C-glycosides
C16979 Isomangiferin
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Other DBs |
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KCF data |
ATOM 30
1 C8y C 30.9557 -23.8892
2 C8y C 30.9557 -25.2905
3 C8x C 32.1692 -25.9912
4 C8y C 33.3828 -25.2905
5 C8y C 33.3828 -23.8892
6 C8x C 32.1692 -23.1886
7 O2x O 34.5963 -25.9912
8 C8y C 35.8098 -25.2905
9 C8y C 35.8098 -23.8892
10 C8y C 34.5963 -23.1886
11 C8y C 37.0235 -25.9912
12 C8y C 38.2370 -25.2905
13 C8x C 38.2370 -23.8892
14 C8y C 37.0235 -23.1886
15 O5x O 34.5963 -21.7873
16 O1a O 29.7422 -23.1886
17 O1a O 29.7422 -25.9912
18 O1a O 37.0235 -21.7876
19 O1a O 39.4546 -25.9935
20 C1y C 37.0235 -27.3924
21 O2x O 35.8310 -28.0812
22 C1y C 35.8312 -29.4825
23 C1y C 37.0449 -30.1829
24 C1y C 38.2374 -29.4942
25 C1y C 38.2371 -28.0929
26 C1b C 34.6347 -30.1739
27 O1a O 34.6347 -31.5752
28 O1a O 37.0451 -31.5963
29 O1a O 39.4549 -30.1968
30 O1a O 39.4544 -27.3897
BOND 33
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
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 10 15 2
18 1 16 1
19 2 17 1
20 14 18 1
21 12 19 1
22 20 11 1 #Up
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 22 26 1 #Up
30 26 27 1
31 23 28 1 #Down
32 24 29 1 #Up
33 25 30 1 #Down
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