| Entry |
|
|---|
| Name |
Gentisin;
1,7-Dihydroxy-3-methoxyxanthone
|
|---|
| Formula |
C14H10O5
|
|---|
| Exact mass |
258.0528
|
|---|
| Mol weight |
258.23
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1306 Dibenzofurans, griseofulvins, dibenzopyrans and xanthones
C10066 Gentisin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C8y C 24.2968 -16.3269
2 C8y C 24.3026 -14.9229
3 C8y C 25.5028 -17.0260
4 C8y C 23.0908 -17.0203
5 O2x O 25.5145 -14.2238
6 C8x C 23.0908 -14.2179
7 C8y C 26.7088 -16.3328
8 O5x O 25.5028 -18.4302
9 C8x C 21.8732 -16.3269
10 O1a O 23.0908 -18.4243
11 C8y C 26.7205 -14.9346
12 C8y C 21.8732 -14.9229
13 C8x C 27.9148 -17.0377
14 C8x C 27.9381 -14.2412
15 O2a O 20.6615 -14.2179
16 C8y C 29.1323 -16.3561
17 C8x C 29.1439 -14.9579
18 C1a C 19.4438 -14.9229
19 O1a O 30.3383 -17.0610
BOND 21
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 4 10 1
10 5 11 1
11 6 12 2
12 7 13 1
13 11 14 1
14 12 15 1
15 13 16 2
16 14 17 2
17 15 18 1
18 16 19 1
19 7 11 2
20 9 12 1
21 16 17 1
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|---|
