KEGG   COMPOUND: C09965Help
Entry
C09965                      Compound                               

Name
Rhododendrin
Formula
C16H24O7
Exact mass
328.1522
Mol weight
328.3576
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 497-78-9
PubChem: 12151
ChEBI: 8832
ChEMBL: CHEMBL1086682
KNApSAcK: C00003014
3DMET: B03417
NIKKAJI: J142.196D
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1c C    28.2309  -15.5245
            2   C1b C    29.4431  -14.8175
            3   C1b C    30.6437  -15.5110
            4   C8y C    31.8584  -14.8071
            5   C8x C    33.0671  -15.5154
            6   C8x C    34.2817  -14.8115
            7   C8y C    34.2821  -13.4101
            8   C8x C    33.0676  -12.7128
            9   C8x C    31.8530  -13.4096
            10  O1a O    35.4962  -12.7135
            11  C1a C    27.0150  -14.8236
            12  O2a O    28.2344  -16.9252
            13  C1y C    27.0252  -17.6377
            14  O2x O    25.8117  -16.9395
            15  C1y C    27.0204  -19.0370
            16  C1y C    24.5996  -17.6338
            17  C1y C    25.8082  -19.7382
            18  O1a O    28.2339  -19.7362
            19  C1y C    24.6006  -19.0329
            20  C1b C    23.3862  -16.9356
            21  O1a O    25.8092  -21.1375
            22  O1a O    23.3884  -19.7343
            23  O1a O    22.1737  -17.6357
BOND        24
            1     3   4 1
            2     1  12 1 #Down
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     7   8 1
            7     8   9 2
            8     9   4 1
            9     1   2 1
            10    7  10 1
            11    2   3 1
            12    1  11 1
            13   13  14 1
            14   13  15 1
            15   13  12 1 #Up
            16   14  16 1
            17   15  17 1
            18   15  18 1 #Down
            19   16  19 1
            20   16  20 1 #Up
            21   17  21 1 #Up
            22   19  22 1 #Down
            23   20  23 1
            24   17  19 1

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