KEGG   COMPOUND: C10622
Entry
C10622                      Compound                               
Name
Grandisin
Formula
C24H32O7
Exact mass
432.2148
Mol weight
432.5067
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10622  Grandisin
Other DBs
CAS: 53250-50-3
PubChem: 12805
ChEBI: 5535
KNApSAcK: C00002607
3DMET: B04003
NIKKAJI: J792.043A
LinkDB
KCF data

ATOM        31
            1   C8x C    27.7394  -21.9133
            2   C8y C    27.0327  -23.1263
            3   C8x C    27.7263  -24.3499
            4   C8y C    29.1274  -24.3568
            5   C8y C    29.8412  -23.1438
            6   C8y C    29.1467  -21.9238
            7   C8y C    19.9541  -21.9204
            8   C8y C    19.2546  -23.1418
            9   C8y C    19.9695  -24.3570
            10  C8x C    21.3706  -24.3475
            11  C8y C    22.0630  -23.1263
            12  C8x C    21.3614  -21.9145
            13  C1y C    25.2679  -24.4685
            14  C1y C    25.7030  -23.1328
            15  O2x O    24.5619  -22.3011
            16  C1y C    23.4211  -23.1328
            17  C1y C    23.8631  -24.4685
            18  O2a O    19.2424  -20.7064
            19  O2a O    17.8499  -23.1499
            20  O2a O    19.2715  -25.5790
            21  O2a O    29.8620  -20.7118
            22  O2a O    31.2458  -23.1538
            23  O2a O    29.8265  -25.5782
            24  C1a C    17.8668  -25.5882
            25  C1a C    17.8377  -20.7131
            26  C1a C    31.2311  -25.5861
            27  C1a C    31.2667  -20.7226
            28  C1a C    26.0316  -25.5648
            29  C1a C    23.0528  -25.6380
            30  C1a C    17.1441  -21.9435
            31  C1a C    31.9533  -21.9482
BOND        33
            1    14   2 1 #Down
            2     4   5 1
            3     7  18 1
            4     5   6 2
            5     8  19 1
            6     7   8 1
            7     9  20 1
            8     8   9 2
            9     6  21 1
            10    9  10 1
            11    5  22 1
            12   10  11 2
            13    4  23 1
            14   11  12 1
            15   12   7 2
            16    6   1 1
            17   20  24 1
            18    1   2 2
            19   18  25 1
            20    2   3 1
            21    3   4 2
            22   23  26 1
            23   13  14 1
            24   21  27 1
            25   14  15 1
            26   15  16 1
            27   13  28 1 #Up
            28   16  17 1
            29   17  29 1 #Down
            30   17  13 1
            31   19  30 1
            32   16  11 1 #Up
            33   22  31 1

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