KEGG   COMPOUND: C10313
Entry
C10313                      Compound                               
Name
Chryso-obtusin glucoside
Formula
C25H28O12
Exact mass
520.1581
Mol weight
520.4826
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C10313  Chryso-obtusin glucoside
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C10313  Chryso-obtusin glucoside
Glycosides [BR:br08021]
 O-glycosides
  Anthraquinone glycosides
   C10313  Chryso-obtusin glucoside
Other DBs
CAS: 96820-54-1
PubChem: 12499
ChEBI: 3685
KNApSAcK: C00002805
3DMET: B03732
NIKKAJI: J2.773.058B
LinkDB
KCF data

ATOM        37
            1   C8y C    23.5085  -17.1101
            2   C8y C    23.5027  -18.5160
            3   C8y C    22.2951  -16.4041
            4   C5x C    24.7278  -16.4100
            5   C5x C    24.7161  -19.2161
            6   C8x C    22.2951  -19.2102
            7   C8y C    21.0874  -17.1101
            8   O2a O    22.3008  -15.0039
            9   C8y C    25.9413  -17.1218
            10  O5x O    24.7337  -15.0098
            11  C8y C    25.9996  -18.5217
            12  O5x O    24.7161  -20.6220
            13  C8y C    21.0874  -18.5160
            14  O2a O    19.8681  -16.4041
            15  C1a C    21.0934  -14.3038
            16  C8y C    27.1606  -16.4274
            17  C8x C    27.1373  -19.2277
            18  O2a O    19.8681  -19.2102
            19  C1a C    18.6548  -17.1101
            20  C8y C    28.3683  -17.1449
            21  O2a O    27.1723  -15.0273
            22  C8y C    28.3507  -18.5451
            23  C1a C    18.6548  -18.5160
            24  O2a O    29.5840  -16.4479
            25  C1a C    29.5640  -19.2511
            26  C1y C    30.7933  -17.1649
            27  O2x O    30.7759  -18.5686
            28  C1y C    32.0101  -16.4723
            29  C1y C    31.9834  -19.2777
            30  C1y C    33.2226  -17.1843
            31  O1a O    32.0774  -15.1350
            32  C1y C    33.2803  -18.5909
            33  C1b C    31.9737  -20.6793
            34  O1a O    34.4496  -16.4975
            35  O1a O    34.4145  -19.3049
            36  C1a C    28.3869  -14.3395
            37  O1a O    33.1778  -21.3855
BOND        40
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     4  10 2
            9     5  11 1
            10    5  12 2
            11    6  13 2
            12    7  14 1
            13    8  15 1
            14    9  16 1
            15   11  17 1
            16   13  18 1
            17   14  19 1
            18   16  20 2
            19   16  21 1
            20   17  22 2
            21   18  23 1
            22   20  24 1
            23   22  25 1
            24   26  24 1 #Up
            25   26  27 1
            26   26  28 1
            27   27  29 1
            28   28  30 1
            29   28  31 1 #Down
            30   29  32 1
            31   29  33 1 #Up
            32   30  34 1 #Up
            33   32  35 1 #Down
            34    7  13 1
            35    9  11 2
            36   20  22 1
            37   30  32 1
            38   21  36 1
            39    1   2 2
            40   33  37 1

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