KEGG   COMPOUND: C09769Help
Entry
C09769                      Compound                               

Name
Asperuloside
Formula
C18H22O11
Exact mass
414.1162
Mol weight
414.3607
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00902  Monoterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09769  Asperuloside
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C09769  Asperuloside
BRITE hierarchy
Other DBs
CAS: 14259-45-1
PubChem: 11957
ChEBI: 2881
ChEMBL: CHEMBL461910
KNApSAcK: C00003072
3DMET: B03267
NIKKAJI: J15.445H
KCF data Show

ATOM        29
            1   O2a O    28.4074  -18.4350
            2   C1y C    27.3135  -19.4928
            3   O2x O    26.1343  -18.8222
            4   C1y C    27.3246  -20.8558
            5   C1y C    24.9656  -19.5002
            6   C1y C    26.1430  -21.5332
            7   O1a O    28.5012  -21.5315
            8   C1y C    24.9665  -20.8575
            9   C1b C    23.7932  -18.8296
            10  O1a O    26.1481  -22.9064
            11  O1a O    23.7991  -21.5458
            12  O1a O    22.6121  -19.5123
            13  C1y C    27.2333  -16.1178
            14  C1y C    27.2333  -14.7554
            15  C1y C    28.4027  -16.7867
            16  C2y C    25.9340  -16.5375
            17  C1y C    25.9400  -14.3297
            18  C2y C    28.4027  -14.0734
            19  O2x O    29.5733  -16.1178
            20  C2x C    25.1306  -15.4243
            21  O7x O    26.2895  -12.7282
            22  C7x C    27.9025  -12.7580
            23  C2x C    29.5733  -14.7612
            24  O6a O    28.6462  -11.6282
            25  C1b C    24.6876  -17.2200
            26  O7a O    23.4751  -16.5200
            27  C7a C    22.2627  -17.2200
            28  C1a C    21.0503  -16.5200
            29  O6a O    22.2627  -18.6200
BOND        32
            1     5   9 1 #Up
            2     6  10 1 #Up
            3     8  11 1 #Down
            4     6   8 1
            5     9  12 1
            6     2   1 1 #Up
            7     2   3 1
            8     2   4 1
            9    13  14 1
            10   13  15 1
            11   13  16 1
            12   14  17 1
            13   14  18 1
            14   15  19 1
            15   16  20 2
            16   17  21 1
            17   18  22 1
            18   18  23 2
            19   22  24 2
            20   17  20 1
            21   19  23 1
            22   21  22 1
            23   15   1 1 #Up
            24    3   5 1
            25    4   6 1
            26    4   7 1 #Down
            27    5   8 1
            28   16  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2

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