Entry |
|
Name |
Iridotrial;
(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde
|
Formula |
C10H14O3
|
Exact mass |
182.0943
|
Mol weight |
182.2164
|
Structure |
|
Reaction |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0102 C10 isoprenoids (monoterpenes)
PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
C06070 Iridotrial
Phytochemical compounds [BR:br08003]
Terpenoids
Monoterpenoids (C10)
Iridoids
C06070 Iridotrial
|
Other DBs |
|
KCF data |
ATOM 13
1 C1y C 16.3590 -17.0369
2 C1x C 16.8152 -18.3603
3 C1x C 18.2148 -18.3354
4 C1y C 18.6237 -16.9967
5 C1y C 17.4767 -16.1941
6 C4a C 17.4510 -14.7690
7 C1a C 15.0303 -16.6308
8 O4a O 16.2087 -14.0811
9 C2c C 19.8305 -16.3081
10 C2b C 21.0428 -17.0081
11 O1a O 22.2551 -16.3081
12 C4a C 19.8341 -14.9085
13 O4a O 21.0285 -14.2226
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 5 6 1 #Up
7 1 7 1 #Down
8 6 8 2
9 4 9 1
10 9 10 2
11 10 11 1
12 9 12 1
13 12 13 2
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