KEGG   COMPOUND: C09786
Entry
C09786                      Compound                               
Name
Iridomyrmecin
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09786  Iridomyrmecin
Other DBs
CAS: 485-43-8
PubChem: 11974
ChEBI: 5967
KNApSAcK: C00003086
3DMET: B03283
NIKKAJI: J6.000C
LinkDB
KCF data

ATOM        12
            1   C1y C    25.6200  -15.7500
            2   C1y C    25.6200  -17.1500
            3   C1y C    24.4300  -15.1200
            4   C1x C    26.9500  -15.3300
            5   C1y C    26.9500  -17.6400
            6   C1x C    24.4300  -17.8500
            7   C7x C    23.1700  -15.8200
            8   C1a C    24.4300  -13.7200
            9   C1x C    27.7900  -16.4500
            10  O7x O    23.1700  -17.2200
            11  O6a O    21.9800  -15.1200
            12  C1a C    27.3700  -18.9700
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     4   9 1
            9     6  10 1
            10    7  11 2
            11    5   9 1
            12    7  10 1
            13    5  12 1 #Down

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