KEGG   COMPOUND: C10245Help
Entry
C10245                      Compound                               

Name
Astringin
Formula
C20H22O9
Exact mass
406.1264
Mol weight
406.3833
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1309 Diphenyl ethers, biphenyls, dibenzyls and stilbenes
    C10245  Astringin
Phytochemical compounds [BR:br08003]
 Skimate / acetate-malonate pathway derived compounds
  Stilbenoids
   Stilbenes
    C10245  Astringin
BRITE hierarchy
Other DBs
CAS: 
29884-49-9
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8y C    32.6924  -17.0506
            2   C8y C    32.6807  -18.4495
            3   C8x C    31.4828  -16.3454
            4   O1a O    33.8831  -16.3397
            5   C8x C    31.4652  -19.1371
            6   O1a O    33.8773  -19.1430
            7   C8y C    30.2674  -17.0389
            8   C8x C    30.2686  -18.4378
            9   C2b C    29.0634  -16.3397
            10  C2b C    27.8608  -17.0449
            11  C8y C    26.6632  -16.3571
            12  C8x C    25.4606  -17.0449
            13  C8x C    26.6632  -14.9642
            14  C8y C    24.3209  -16.3514
            15  C8y C    25.4663  -14.2649
            16  C8x C    24.2568  -14.9584
            17  O1a O    25.4489  -12.8592
            18  O2a O    22.9705  -17.0263
            19  C1y C    21.7065  -17.9450
            20  O2x O    20.5047  -17.2460
            21  C1y C    21.7007  -19.3394
            22  C1y C    19.2982  -17.9402
            23  C1y C    20.5001  -20.0207
            24  O1a O    22.9070  -20.0322
            25  C1y C    19.2925  -19.3335
            26  C1b C    18.0918  -17.2344
            27  O1a O    20.4942  -21.4196
            28  O1a O    18.0801  -20.0207
            29  O1a O    16.8795  -17.9345
BOND        31
            1    11  13 2
            2    12  14 2
            3    13  15 1
            4    14  16 1
            5    15  17 1
            6     7   8 2
            7    15  16 2
            8    14  18 1
            9     1   2 1
            10    1   3 2
            11    1   4 1
            12    2   5 2
            13    2   6 1
            14    3   7 1
            15    5   8 1
            16    7   9 1
            17    9  10 2
            18   10  11 1
            19   11  12 1
            20   19  18 1 #Up
            21   19  20 1
            22   19  21 1
            23   20  22 1
            24   21  23 1
            25   21  24 1 #Down
            26   22  25 1
            27   22  26 1 #Up
            28   23  27 1 #Up
            29   25  28 1 #Down
            30   26  29 1
            31   23  25 1

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