| Entry |
|
|---|
| Name |
Iridodial;
cis-trans-Iridodial
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| Formula |
C10H16O2
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| Exact mass |
168.115
|
|---|
| Mol weight |
168.2328
|
|---|
| Structure |
|
|---|
| Comment |
(+)-Iridodial (tautomer) [CPD: C09785]
cis-trans-Iridodial lactol (tautomer) [CPD: C09804]
|
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| Reaction |
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| Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
C06069 Iridodial
Phytochemical compounds [BR:br08003]
Terpenoids
Monoterpenoids (C10)
Iridoids
C06069 Iridodial
|
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| Other DBs |
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| LinkDB |
|
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| KCF data |
ATOM 12
1 C1y C 16.3491 -16.9960
2 C1x C 16.7940 -18.3202
3 C1x C 18.1908 -18.3062
4 C1y C 18.6095 -16.9736
5 C1y C 17.4711 -16.1638
6 C1c C 19.8113 -16.2799
7 C4a C 21.0211 -16.9784
8 C1a C 19.8114 -14.8831
9 C4a C 17.5270 -14.7435
10 C1a C 15.0273 -16.5807
11 O4a O 22.2087 -16.2930
12 O4a O 16.3363 -13.9917
BOND 12
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1
7 6 7 1
8 6 8 1 #Down
9 5 9 1 #Up
10 1 10 1 #Down
11 7 11 2
12 9 12 2
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