KEGG   COMPOUND: C10533Help
Entry
C10533                      Compound                               

Name
Tectoridin;
Shekanin
Formula
C22H22O11
Exact mass
462.1162
Mol weight
462.4035
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C10533  Tectoridin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C10533  Tectoridin
BRITE hierarchy
Other DBs
CAS: 611-40-5
PubChem: 12716
ChEBI: 9428
ChEMBL: CHEMBL520214
KNApSAcK: C00002576
3DMET: B03932
NIKKAJI: J91.432K
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8y C    26.0889  -18.0654
            2   C8y C    26.0830  -19.4557
            3   C8x C    24.8913  -17.3760
            4   O2x O    27.2924  -17.3817
            5   C8y C    27.2807  -20.1627
            6   C8y C    24.8913  -20.1568
            7   C8y C    23.6819  -18.0654
            8   C8x C    28.4960  -18.0769
            9   C8y C    28.4901  -19.4674
            10  O5x O    27.2749  -21.5532
            11  C8y C    23.6819  -19.4557
            12  O1a O    24.8913  -21.5473
            13  O2a O    22.4258  -17.2357
            14  C8y C    29.6877  -20.1744
            15  O2a O    22.4725  -20.1568
            16  C1y C    21.0119  -16.4645
            17  C8x C    30.8914  -19.4791
            18  C8x C    29.6761  -21.5590
            19  C1a C    22.4725  -21.5473
            20  O2x O    20.9885  -15.0799
            21  C1y C    19.8142  -17.1832
            22  C8x C    32.0948  -20.1744
            23  C8x C    30.8797  -22.2601
            24  C1y C    19.7674  -14.4080
            25  C1y C    18.6048  -16.5112
            26  O1a O    19.8435  -18.5737
            27  C8y C    32.0890  -21.5707
            28  C1y C    18.6457  -15.1207
            29  C1b C    19.7383  -13.0175
            30  O1a O    17.4131  -17.2357
            31  O1a O    33.2925  -22.2660
            32  O1a O    17.3604  -14.4490
            33  O1a O    20.9360  -12.2932
BOND        36
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   16  13 1 #Up
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   16  21 1
            21   17  22 2
            22   18  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 1 #Down
            26   22  27 1
            27   24  28 1
            28   24  29 1 #Up
            29   25  30 1 #Up
            30   27  31 1
            31   28  32 1 #Down
            32   29  33 1
            33    7  11 1
            34    8   9 2
            35   23  27 2
            36   25  28 1

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