KEGG   COMPOUND: C10456
Entry
C10456                      Compound                               
Name
Forsythiaside
Formula
C29H36O15
Exact mass
624.2054
Mol weight
624.5871
Structure
Other DBs
CAS: 79916-77-1
PubChem: 12639
ChEBI: 5160
KNApSAcK: C00002744
3DMET: B03862
NIKKAJI: J193.282I
LinkDB
KCF data

ATOM        44
            1   C1y C    27.6747  -17.7449
            2   C1y C    27.6747  -19.1432
            3   O2x O    28.8859  -17.0370
            4   C1b C    26.4576  -17.0427
            5   C1y C    28.8917  -19.8454
            6   O7a O    26.4635  -19.8454
            7   C1y C    30.1029  -17.7391
            8   O2a O    26.4576  -15.6444
            9   C1y C    30.1087  -19.1432
            10  O1a O    28.8917  -21.2439
            11  C7a C    25.2523  -19.1492
            12  O2a O    31.3141  -17.0487
            13  C1y C    25.1706  -14.9422
            14  O1a O    31.3199  -19.8396
            15  C2b C    24.0352  -19.8454
            16  O6a O    25.2523  -17.7508
            17  C1b C    32.5194  -17.7449
            18  C1y C    25.2347  -13.5379
            19  O2x O    24.0294  -15.6444
            20  C2b C    22.8299  -19.1492
            21  C1b C    33.7306  -17.0544
            22  C1y C    24.0177  -12.8475
            23  O1a O    26.4401  -12.8358
            24  C1y C    22.8125  -14.9539
            25  C8y C    21.6187  -19.8454
            26  C8y C    34.9418  -17.7508
            27  C1y C    22.8065  -13.5496
            28  O1a O    24.0118  -11.4432
            29  C1a C    21.6070  -15.6561
            30  C8x C    20.4018  -19.1492
            31  C8x C    21.6247  -21.2497
            32  C8x C    36.1530  -17.0544
            33  C8x C    34.9418  -19.1549
            34  O1a O    21.5896  -12.8592
            35  C8y C    19.1906  -19.8513
            36  C8x C    20.4075  -21.9518
            37  C8y C    37.3642  -17.7508
            38  C8x C    36.1530  -19.8513
            39  C8y C    19.1906  -21.2556
            40  O1a O    17.9734  -19.1492
            41  C8y C    37.3642  -19.1549
            42  O1a O    38.5754  -17.0544
            43  O1a O    17.9794  -21.9518
            44  O1a O    38.5754  -19.8513
BOND        47
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1
            11    7  12 1 #Up
            12   13   8 1 #Down
            13    9  14 1 #Down
            14   11  15 1
            15   11  16 2
            16   12  17 1
            17   13  18 1
            18   13  19 1
            19   15  20 2
            20   17  21 1
            21   18  22 1
            22   18  23 1 #Up
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   22  28 1 #Up
            28   24  29 1 #Up
            29   25  30 1
            30   25  31 2
            31   26  32 2
            32   26  33 1
            33   27  34 1 #Down
            34   30  35 2
            35   31  36 1
            36   32  37 1
            37   33  38 2
            38   35  39 1
            39   35  40 1
            40   37  41 2
            41   37  42 1
            42   39  43 1
            43   41  44 1
            44    7   9 1
            45   24  27 1
            46   36  39 2
            47   38  41 1

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