KEGG   COMPOUND: C06070Help
Entry
C06070                      Compound                               

Name
Iridotrial;
(1S,2R,3S)-2-Formyl-alpha-(hydroxymethylene)-3-methylcyclopentaneacetaldehyde
Formula
C10H14O3
Exact mass
182.0943
Mol weight
182.2164
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Monoterpenoid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
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
BRITE hierarchy
Other DBs
CAS: 
69098-42-6
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C1y C    22.5888  -17.1767
            2   C1x C    23.0450  -18.5001
            3   C1x C    24.4446  -18.4752
            4   C1y C    24.8535  -17.1365
            5   C1y C    23.7065  -16.3339
            6   C4a C    23.6808  -14.9089
            7   C1a C    21.2601  -16.7706
            8   O4a O    22.4385  -14.2210
            9   C2c C    26.0602  -16.4479
            10  C2b C    27.2725  -17.1479
            11  O1a O    28.4848  -16.4479
            12  C4a C    26.0638  -15.0483
            13  O4a O    27.2582  -14.3625
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 #Up
            10    9  10 2
            11   10  11 1
            12    9  12 1
            13   12  13 2

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