KEGG   COMPOUND: C09262Help
Entry
C09262                      Compound                               

Name
(3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin
Formula
C21H22O8
Exact mass
402.1315
Mol weight
402.3946
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C09262  (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3',4'-dihydroseselin
BRITE hierarchy
Other DBs
CAS: 
11350-35-9
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    28.3630  -15.0490
            2   C1y C    28.3223  -16.4409
            3   C8y C    29.5977  -14.3735
            4   C8y C    27.2508  -14.3093
            5   C1y C    27.0935  -17.0991
            6   O7a O    29.5103  -17.1747
            7   C8y C    29.6443  -12.9698
            8   O7x O    30.7916  -15.1190
            9   O2x O    25.9578  -14.9732
            10  C8x C    27.2098  -12.9000
            11  C1z C    25.9812  -16.3652
            12  O7a O    27.0469  -18.4968
            13  C7a C    29.5396  -18.5782
            14  C8x C    28.4446  -12.2361
            15  C8x C    30.8848  -12.3175
            16  C8y C    32.0321  -14.4550
            17  C1a C    24.6707  -15.6314
            18  C1a C    24.6531  -16.8075
            19  C7a C    25.8122  -19.1608
            20  C1a C    30.6576  -19.3180
            21  O6a O    28.2291  -19.2422
            22  C8x C    32.0787  -13.0514
            23  O6a O    33.2319  -15.2063
            24  C1z C    24.6300  -18.4210
            25  O6a O    25.8356  -20.5584
            26  C1y C    24.6241  -19.7548
            27  O2x O    23.3895  -19.0849
            28  C1a C    23.4651  -17.6872
            29  C1a C    23.8650  -20.9553
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 1
            16   11  17 1
            17   11  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 2
            21   15  22 2
            22   16  23 2
            23   19  24 1
            24   19  25 2
            25   24  26 1
            26   24  27 1
            27   24  28 1
            28    9  11 1
            29   10  14 2
            30   16  22 1
            31   26  27 1
            32   26  29 1

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