| Entry |
|
|---|
| Name |
Urushiol III;
3-(8,11-Pentadecadienyl)-1,2-benzenediol
|
|---|
| Formula |
C21H32O2
|
|---|
| Exact mass |
316.2402
|
|---|
| Mol weight |
316.4776
|
|---|
| Structure |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK15 Phenolic lipids
PK1502 Alkyl catechols and derivatives
C10839 Urushiol III
Phytochemical compounds [BR:br08003]
Others
Others
Others
C10839 Urushiol III
Natural toxins [BR:br08009]
Phytotoxins
Others
Others
C10839 Urushiol III
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C8x C 17.7105 -19.5569
2 C8x C 17.7105 -20.9633
3 C8x C 18.9265 -21.6738
4 C8y C 20.1354 -20.9633
5 C8y C 20.1354 -19.5569
6 C8y C 18.9265 -18.8607
7 O1a O 18.9282 -17.4540
8 O1a O 21.3557 -18.8615
9 C1b C 21.3395 -21.6598
10 C1b C 22.5493 -20.9564
11 C1b C 23.7590 -21.6598
12 C1b C 24.9686 -20.9564
13 C1b C 26.1783 -21.6598
14 C1b C 27.3880 -20.9564
15 C1b C 28.5907 -21.6598
16 C2b C 29.8003 -20.9564
17 C2b C 31.0100 -21.6598
18 C1b C 32.2197 -20.9564
19 C2b C 33.4293 -21.6598
20 C2b C 34.6390 -20.9564
21 C1b C 35.8488 -21.6598
22 C1b C 37.0584 -20.9564
23 C1a C 38.2610 -21.6598
BOND 23
1 6 7 1
2 11 12 1
3 1 2 2
4 12 13 1
5 5 8 1
6 13 14 1
7 2 3 1
8 14 15 1
9 3 4 2
10 15 16 1
11 4 5 1
12 16 17 2
13 17 18 1
14 4 9 1
15 18 19 1
16 5 6 2
17 19 20 2
18 9 10 1
19 20 21 1
20 6 1 1
21 21 22 1
22 10 11 1
23 22 23 1
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