KEGG   COMPOUND: C09765Help
Entry
C09765                      Compound                               

Name
Agnuside
Formula
C22H26O11
Exact mass
466.1475
Mol weight
466.4352
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09765  Agnuside
BRITE hierarchy
Other DBs
CAS: 11027-63-7
PubChem: 11953
ChEBI: 2515
ChEMBL: CHEMBL483223
KNApSAcK: C00003068
3DMET: B03263
NIKKAJI: J924.701G
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1y C    21.2850  -20.2390
            2   C1y C    21.2850  -21.6396
            3   C1y C    22.4979  -22.3399
            4   O2x O    23.7110  -21.6396
            5   C1y C    23.7110  -20.2390
            6   C1y C    22.4979  -19.5387
            7   O1a O    20.0721  -19.5387
            8   C1b C    22.4979  -23.7403
            9   O1a O    20.0721  -22.3399
            10  O1a O    22.4979  -18.1382
            11  O2a O    24.9426  -19.5277
            12  C1y C    24.9426  -18.1270
            13  O1a O    21.2682  -24.4505
            14  C1y C    26.1388  -17.4364
            15  C1y C    26.1388  -16.0358
            16  C2x C    24.9259  -15.3355
            17  C2x C    23.7297  -16.0261
            18  O2x O    23.7297  -17.4267
            19  C2y C    27.4709  -17.8692
            20  C2x C    28.2942  -16.7361
            21  C1y C    27.4709  -15.6030
            22  C1b C    28.6606  -18.5582
            23  O7a O    29.8737  -17.8579
            24  C7a C    31.0866  -18.5582
            25  C8y C    32.2995  -17.8579
            26  C8x C    33.4977  -18.5497
            27  C8x C    34.7107  -17.8495
            28  C8y C    34.7108  -16.4489
            29  C8x C    33.5128  -15.7571
            30  C8x C    32.2997  -16.4573
            31  O6a O    31.0866  -19.9588
            32  O1a O    35.9351  -15.7420
            33  O1a O    27.8981  -14.2871
BOND        36
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1 #Down
            8     3   8 1 #Down
            9     2   9 1 #Up
            10    6  10 1 #Up
            11    5  11 1
            12   12  11 1 #Down
            13    8  13 1
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   12  18 1
            20   14  19 1
            21   19  20 2
            22   20  21 1
            23   15  21 1
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   24  31 2
            35   28  32 1
            36   21  33 1 #Down

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