| Entry |
|
|---|
| Name |
Isogentisin;
1,3-Dihydroxy-7-methoxyxanthone
|
|---|
| Formula |
C14H10O5
|
|---|
| Exact mass |
258.0528
|
|---|
| Mol weight |
258.2262
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1306 Dibenzofurans, griseofulvins, dibenzopyrans and xanthones
C10070 Isogentisin
Phytochemical compounds [BR:br08003]
Polyketides
Pyrones
Xanthenes
C10070 Isogentisin
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 19
1 C8y C 23.0316 -14.9171
2 C8y C 23.0258 -16.3213
3 O2x O 24.2436 -14.2179
4 C8x C 21.8255 -14.2120
5 C8y C 24.2320 -17.0205
6 C8y C 21.8255 -17.0146
7 C8y C 25.4555 -14.9288
8 C8y C 20.6077 -14.9171
9 C8y C 25.5138 -16.3270
10 O5x O 24.2320 -18.4246
11 C8x C 20.6077 -16.3213
12 O1a O 21.8255 -18.4189
13 C8x C 26.6733 -14.2353
14 O1a O 19.3899 -14.2120
15 C8x C 26.6500 -17.0321
16 C8x C 27.8794 -14.9519
17 C8y C 27.8618 -16.3446
18 O2a O 29.0739 -17.0555
19 C1a C 30.2917 -16.3679
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 4 8 2
8 5 9 1
9 5 10 2
10 6 11 2
11 6 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 13 16 2
16 15 17 2
17 17 18 1
18 18 19 1
19 7 9 2
20 8 11 1
21 16 17 1
|
|---|
