KEGG   COMPOUND: C16406Help
Entry
C16406                      Compound                               

Name
Phlorizin chalcone;
Chalcone 2'-O-glucoside
Formula
C21H22O10
Exact mass
434.1213
Mol weight
434.3934
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00941  Flavonoid biosynthesis
Enzyme
2.4.1.-
Other DBs
CAS: 4547-85-7
PubChem: 47205704
ChEBI: 80486
ChEMBL: CHEMBL2430461
KNApSAcK: C00007881
NIKKAJI: J107.406G
KCF data Show

ATOM        31
            1   C8y C    24.0023  -18.0489
            2   C8x C    24.0023  -19.4479
            3   C8y C    25.2139  -20.1474
            4   C8y C    26.4255  -19.4479
            5   C8y C    26.4255  -18.0489
            6   C8x C    25.2139  -17.3494
            7   C5a C    27.6370  -20.1474
            8   C2b C    28.8486  -19.4479
            9   O5a O    27.6370  -21.5464
            10  O1a O    25.2139  -21.5464
            11  O1a O    22.7908  -17.3494
            12  O2a O    27.6557  -17.3384
            13  C1y C    27.6557  -15.9394
            14  O2x O    28.8506  -15.2496
            15  C1y C    28.8506  -13.8506
            16  C1y C    27.6390  -13.1511
            17  C1y C    26.4442  -13.8409
            18  C1y C    26.4442  -15.2399
            19  C1b C    30.0452  -13.1607
            20  O1a O    30.0452  -11.7617
            21  O1a O    27.6390  -11.7534
            22  O1a O    25.2421  -13.1469
            23  O1a O    25.2327  -15.9393
            24  C2b C    30.0598  -20.1472
            25  C8y C    31.2443  -19.4632
            26  C8x C    32.4371  -20.1519
            27  C8x C    33.6495  -19.4520
            28  C8y C    33.6496  -18.0520
            29  C8x C    32.4568  -17.3632
            30  C8x C    31.2443  -18.0632
            31  O1a O    34.8737  -17.3451
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     7   9 2
            10    3  10 1
            11    1  11 1
            12    5  12 1
            13   13  12 1 #Up
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   15  19 1 #Up
            21   19  20 1
            22   16  21 1 #Down
            23   17  22 1 #Up
            24   18  23 1 #Down
            25    8  24 2
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   25  30 1
            33   28  31 1

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