KEGG   COMPOUND: C10465Help
Entry
C10465                      Compound                               

Name
Iridin
Formula
C24H26O13
Exact mass
522.1373
Mol weight
522.4554
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C10465  Iridin
BRITE hierarchy
Other DBs
CAS: 491-74-7
PubChem: 12648
ChEBI: 5963
ChEMBL: CHEMBL487014
KNApSAcK: C00010137
3DMET: B03870
NIKKAJI: J17.630C
LinkDB All DBs
KCF data Show

ATOM        37
            1   C8y C    25.5044  -17.4109
            2   C8y C    25.4987  -18.8025
            3   C8x C    24.3060  -16.7210
            4   O2x O    26.7090  -16.7269
            5   C8y C    26.6973  -19.5100
            6   C8y C    24.3060  -19.5041
            7   C8y C    23.0957  -17.4109
            8   C8x C    27.9133  -17.4226
            9   C8y C    27.9076  -18.8142
            10  O5x O    26.6915  -20.9016
            11  C8y C    23.0957  -18.8025
            12  O1a O    24.3060  -20.8957
            13  O2a O    21.8386  -16.5808
            14  C8y C    29.1062  -19.5217
            15  O2a O    21.8854  -19.5041
            16  C1y C    20.4237  -15.8090
            17  C8x C    30.3105  -18.8259
            18  C8x C    29.0945  -20.9074
            19  C1a C    21.8854  -20.8957
            20  O2x O    20.4703  -14.4233
            21  C1y C    19.2251  -16.5282
            22  C8y C    31.5151  -19.5217
            23  C8y C    30.2988  -21.6090
            24  C1y C    19.1783  -13.7509
            25  C1y C    18.0148  -15.8558
            26  O1a O    19.2542  -17.9196
            27  C8y C    31.5091  -20.9191
            28  O2a O    32.7253  -18.8318
            29  O1a O    30.2931  -23.0005
            30  C1y C    17.9856  -14.4642
            31  C1b C    19.1491  -12.3593
            32  O1a O    16.8221  -16.5808
            33  O2a O    32.7136  -21.6149
            34  C1a C    33.9239  -19.5334
            35  O1a O    16.7694  -13.7919
            36  O1a O    20.3477  -11.6343
            37  C1a C    33.9180  -20.9250
BOND        40
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   16  13 1 #Up
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   16  21 1
            21   17  22 2
            22   18  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 1 #Down
            26   22  27 1
            27   22  28 1
            28   23  29 1
            29   24  30 1
            30   24  31 1 #Up
            31   25  32 1 #Up
            32   27  33 1
            33   28  34 1
            34   30  35 1 #Down
            35   31  36 1
            36   33  37 1
            37    7  11 1
            38    8   9 2
            39   23  27 2
            40   25  30 1

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