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 search
Reaction
Pathway
map00902  Monoterpenoid biosynthesis
map01100  Metabolic pathways
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
BRITE hierarchy
Other DBs
CAS: 69098-42-6
PubChem: 8337
ChEBI: 5968
LIPIDMAPS: LMPR0102070004
3DMET: B05157
NIKKAJI: J2.370.749G
KCF data Show

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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