KEGG   COMPOUND: C17391Help
Entry
C17391                      Compound                               

Name
Sakuranin;
NSC 407308
Formula
C22H24O10
Exact mass
448.1369
Mol weight
448.42
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C17391  Sakuranin
BRITE hierarchy
Other DBs
CAS: 529-39-5
PubChem: 96023744
ChEBI: 81054
ChEMBL: CHEMBL495847
KNApSAcK: C00008219
NIKKAJI: J14.374J
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8y C    24.9900  -18.9700
            2   C8x C    24.9900  -20.3700
            3   C8y C    26.1800  -21.0700
            4   C8y C    27.4400  -20.3700
            5   C8y C    27.4400  -18.9700
            6   C8x C    26.1800  -18.2700
            7   C5x C    28.6300  -21.0700
            8   C1x C    29.8200  -20.3700
            9   C1y C    29.8200  -18.9700
            10  O2x O    28.6300  -18.2700
            11  C8y C    31.0100  -18.2700
            12  C8x C    32.2000  -18.9700
            13  C8x C    33.4600  -18.2700
            14  C8y C    33.4600  -16.9400
            15  C8x C    32.2700  -16.2400
            16  C8x C    31.0100  -16.9400
            17  O2a O    23.8000  -18.2700
            18  O1a O    34.7200  -16.2400
            19  O5x O    28.6300  -22.4700
            20  O2a O    26.1800  -22.4700
            21  C1a C    22.6100  -18.9700
            22  C1y C    24.9676  -23.1700
            23  O2x O    23.7721  -22.4796
            24  C1y C    22.5596  -23.1795
            25  C1y C    22.5594  -24.5795
            26  C1y C    23.7549  -25.2699
            27  C1y C    24.9674  -24.5700
            28  C1b C    21.3284  -22.4685
            29  O1a O    20.1315  -23.1595
            30  O1a O    23.7547  -26.6698
            31  O1a O    26.1966  -25.2800
            32  O1a O    21.3366  -25.2854
BOND        35
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Down
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19    1  17 1
            20   14  18 1
            21    7  19 2
            22    3  20 1
            23   17  21 1
            24   22  20 1 #Up
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   24  28 1 #Up
            32   28  29 1
            33   26  30 1 #Up
            34   27  31 1 #Down
            35   25  32 1 #Down

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