KEGG   COMPOUND: C16964Help
Entry
C16964                      Compound                               

Name
Gastrodin;
4-(Hydroxymethyl)phenyl-beta-D-glucopyranoside
Formula
C13H18O7
Exact mass
286.1053
Mol weight
286.2778
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 62499-27-8
PubChem: 96023450
ChEBI: 80828
ChEMBL: CHEMBL274739
KNApSAcK: C00029516
NIKKAJI: J39.391F
LinkDB All DBs
KCF data Show

ATOM        20
            1   C1y C    18.6900  -22.8200
            2   C1y C    18.6900  -24.2200
            3   C1y C    19.9024  -24.9200
            4   C1y C    21.1149  -24.2200
            5   C1y C    21.1149  -22.8200
            6   O2x O    19.9024  -22.1200
            7   O2a O    22.3460  -22.1090
            8   C1b C    17.4776  -22.1200
            9   O1a O    19.9024  -26.3198
            10  O1a O    17.4776  -24.9200
            11  O1a O    22.3460  -24.9310
            12  O1a O    16.2821  -22.8104
            13  C8y C    23.5512  -22.8047
            14  C8x C    23.5516  -24.2196
            15  C8x C    24.7642  -24.9193
            16  C8y C    25.9765  -24.2189
            17  C8x C    25.9760  -22.8039
            18  C8x C    24.7634  -22.1043
            19  C1b C    27.1847  -24.9160
            20  O1a O    28.3766  -24.2273
BOND        21
            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     5   7 1 #Up
            8     1   8 1 #Up
            9     3   9 1 #Up
            10    2  10 1 #Down
            11    4  11 1 #Down
            12    8  12 1
            13    7  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   16  19 1
            21   19  20 1

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