KEGG   COMPOUND: C11653
Entry
C11653                      Compound                               
Name
Iridotrial glucoside
Formula
C16H24O8
Exact mass
344.1471
Mol weight
344.357
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010207 Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids
     C11653  Iridotrial glucoside
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C11653  Iridotrial glucoside
Other DBs
PubChem: 13818
ChEBI: 5969
LIPIDMAPS: LMPR0102070024
3DMET: B04290
NIKKAJI: J2.775.736G
LinkDB
KCF data

ATOM        24
            1   O2a O    30.8815  -19.0904
            2   C1y C    29.4765  -20.1542
            3   O2x O    28.2832  -19.4527
            4   C1y C    29.4691  -21.5458
            5   C1y C    27.0704  -20.1400
            6   C1y C    28.2583  -22.2300
            7   O1a O    30.6675  -22.2500
            8   C1y C    27.0580  -21.5287
            9   C1b C    25.8772  -19.4386
            10  O1a O    28.2510  -23.6216
            11  O1a O    25.8523  -22.2160
            12  O1a O    24.6779  -20.1208
            13  C1y C    29.6858  -17.0078
            14  C1y C    29.6858  -15.6221
            15  C1y C    30.8849  -17.7067
            16  C1y C    28.3688  -17.4266
            17  C2y C    30.8849  -14.9291
            18  C1x C    28.3688  -15.1963
            19  O2x O    32.0842  -17.0137
            20  C1x C    27.5663  -16.3092
            21  C2x C    32.0842  -15.6221
            22  C4a C    30.8849  -13.5376
            23  O4a O    29.6858  -12.8446
            24  C1a C    27.1560  -18.1117
BOND        26
            1     4   6 1
            2     4   7 1 #Down
            3     5   8 1
            4     5   9 1 #Up
            5     6  10 1 #Up
            6     8  11 1 #Down
            7     6   8 1
            8     9  12 1
            9     2   1 1 #Up
            10    2   3 1
            11    2   4 1
            12    3   5 1
            13   13  14 1
            14   13  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   17  22 1
            22   22  23 2
            23   18  20 1
            24   19  21 1
            25   15   1 1 #Up
            26   16  24 1 #Up

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