KEGG   COMPOUND: C09771
Entry
C09771                      Compound                               
Name
Aucubin
Formula
C15H22O9
Exact mass
346.1264
Mol weight
346.3298
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C09771  Aucubin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09771  Aucubin
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C09771  Aucubin
Other DBs
CAS: 479-98-1
PubChem: 11959
ChEBI: 69796
LIPIDMAPS: LMPR0102070006
KNApSAcK: C00003073
3DMET: B03269
NIKKAJI: J22.117A
KCF data

ATOM        24
            1   O2a O    29.0884  -18.0392
            2   C1y C    27.8633  -19.1128
            3   O2x O    26.6507  -18.4260
            4   C1y C    27.8782  -20.5079
            5   C1y C    25.4610  -19.1320
            6   C1y C    26.6755  -21.2134
            7   O1a O    29.0928  -21.1918
            8   C1y C    25.4658  -20.5214
            9   C1b C    24.2412  -18.4453
            10  O1a O    26.6904  -22.6086
            11  O1a O    24.2661  -21.2329
            12  O1a O    23.0500  -19.1486
            13  C1b C    25.3596  -17.0784
            14  C2y C    26.5571  -16.3860
            15  O1a O    24.1621  -16.3860
            16  C1y C    27.8763  -15.9603
            17  C1y C    29.0855  -16.6550
            18  C1y C    27.8821  -14.5651
            19  O2x O    30.2820  -15.9603
            20  C1y C    26.5512  -14.1265
            21  C2x C    29.0855  -13.8705
            22  C2x C    25.7280  -15.2655
            23  C2x C    30.2820  -14.5709
            24  O1a O    26.1197  -12.8014
BOND        26
            1     2   3 1
            2    13  14 1
            3     2   4 1
            4    13  15 1
            5     3   5 1
            6     4   6 1
            7     4   7 1 #Down
            8     5   8 1
            9     5   9 1 #Up
            10    6  10 1 #Up
            11    8  11 1 #Down
            12    6   8 1
            13    9  12 1
            14    2   1 1 #Up
            15   16  17 1
            16   16  18 1
            17   16  14 1
            18   17  19 1
            19   18  20 1
            20   18  21 1
            21   14  22 2
            22   19  23 1
            23   20  24 1 #Up
            24   20  22 1
            25   21  23 2
            26   17   1 1 #Up

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