KEGG   COMPOUND: C11651Help
Entry
C11651                      Compound                               

Name
8-Epiiridodial
Formula
C10H16O2
Exact mass
168.115
Mol weight
168.2328
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C11651  8-Epiiridodial
BRITE hierarchy
Other DBs
PubChem: 13816
ChEBI: 2317
LIPIDMAPS: LMPR0102070022
3DMET: B04288
NIKKAJI: J2.775.717K
KCF data Show

ATOM        12
            1   O1a O    29.4738  -21.0589
            2   C1y C    28.2390  -18.7683
            3   C1y C    28.1807  -17.3844
            4   C1y C    29.4625  -19.4603
            5   C1y C    26.9248  -19.1878
            6   C2y C    29.4625  -16.6863
            7   C1x C    26.9364  -16.9542
            8   O2x O    30.6485  -18.7743
            9   C1x C    26.1233  -18.0588
            10  C2x C    30.6485  -17.3844
            11  C1a C    29.4625  -15.3023
            12  C1a C    26.4832  -20.5167
BOND        13
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     3   6 1
            5     3   7 1
            6     4   8 1
            7     5   9 1
            8     6  10 2
            9     6  11 1
            10    7   9 1
            11    8  10 1
            12    4   1 1 #Up
            13    5  12 1 #Down

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