KEGG   COMPOUND: C09802Help
Entry
C09802                      Compound                               

Name
Verbenalin;
Cornin (glycoside)
Formula
C17H24O10
Exact mass
388.1369
Mol weight
388.3665
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
     C09802  Verbenalin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09802  Verbenalin
BRITE hierarchy
Other DBs
CAS: 548-37-8
PubChem: 11990
ChEBI: 9954
ChEMBL: CHEMBL1080178
LIPIDMAPS: LMPR0102070016
KNApSAcK: C00003102
3DMET: B03299
NIKKAJI: J6.444K
LinkDB All DBs
KCF data Show

ATOM        27
            1   O2a O    26.5300  -16.1491
            2   C1y C    25.2247  -17.1304
            3   O2x O    24.0222  -16.4300
            4   C1y C    25.2230  -18.5236
            5   C1y C    22.8230  -17.1260
            6   C1y C    24.0137  -19.2136
            7   O1a O    26.4176  -19.2259
            8   C1y C    22.8112  -18.5135
            9   C1b C    21.6134  -16.4258
            10  O1a O    24.0069  -20.6039
            11  O1a O    21.6049  -19.2093
            12  O1a O    20.4154  -17.1137
            13  C1y C    25.3141  -13.9052
            14  C1y C    25.3200  -12.5122
            15  C1y C    26.5087  -14.6049
            16  C1y C    24.0025  -14.3247
            17  C2y C    26.5320  -11.8300
            18  C5x C    24.0084  -12.0869
            19  O2x O    27.7222  -13.9228
            20  C1x C    23.1805  -13.1999
            21  C1a C    22.9018  -15.0969
            22  C2x C    27.7339  -12.5355
            23  C7a C    26.5437  -10.4427
            24  O5x O    23.0228  -11.0956
            25  O7a O    27.7456   -9.7489
            26  O6a O    25.3432   -9.7489
            27  C1a C    28.9402  -10.4427
BOND        29
            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   16  21 1 #Up
            21   17  22 2
            22   17  23 1
            23   18  24 2
            24   23  25 1
            25   23  26 2
            26   25  27 1
            27   18  20 1
            28   19  22 1
            29   15   1 1 #Up

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