KEGG   COMPOUND: C10187
Entry
C10187                      Compound                               

Name
Swertiajaponin
Formula
C22H22O11
Exact mass
462.1162
Mol weight
462.4035
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10187  Swertiajaponin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C10187  Swertiajaponin
Glycosides [BR:br08021]
 C-glycosides
  C10187  Swertiajaponin
Other DBs
CAS: 6980-25-2
PubChem: 12373
ChEBI: 9369
ChEMBL: CHEMBL4160301
KNApSAcK: C00001102
3DMET: B03620
NIKKAJI: J15.605A
KCF data

ATOM        33
            1   C8y C    25.8170  -29.0586
            2   C1y C    24.6090  -29.7532
            3   C8y C    25.8170  -27.6578
            4   C8y C    27.0368  -29.7647
            5   O2x O    23.4008  -29.0586
            6   C1y C    24.6090  -31.1481
            7   C8x C    27.0368  -26.9574
            8   O2a O    24.6030  -26.9574
            9   C8y C    28.3150  -29.0586
            10  O1a O    27.0368  -31.1655
            11  C1y C    22.1926  -29.7532
            12  C1y C    23.4008  -31.8485
            13  O1a O    25.8170  -31.8485
            14  C8y C    28.2509  -27.6578
            15  C8y C    29.4531  -29.7706
            16  C1y C    22.1926  -31.1481
            17  C1b C    20.9845  -29.0586
            18  O1a O    23.4065  -33.2433
            19  O2x O    29.4648  -26.9633
            20  C8x C    30.6672  -29.0703
            21  O5x O    29.4474  -31.1714
            22  O1a O    20.9845  -31.8485
            23  O1a O    19.7704  -29.7532
            24  C8y C    30.6730  -27.6637
            25  C8y C    31.8928  -26.9750
            26  C8x C    31.8928  -25.5742
            27  C8x C    33.1010  -27.6811
            28  C8y C    33.1127  -24.8738
            29  C8x C    34.3208  -26.9867
            30  C8y C    34.3266  -25.5859
            31  O1a O    33.1184  -23.4673
            32  O1a O    35.5464  -24.8855
            33  C1a C    23.3939  -27.6559
BOND        36
            1     2   1 1 #Up
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1 #Down
            13    7  14 1
            14    9  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   12  18 1 #Up
            18   14  19 1
            19   15  20 1
            20   15  21 2
            21   16  22 1 #Down
            22   17  23 1
            23   19  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 2
            28   27  29 1
            29   28  30 1
            30   28  31 1
            31   30  32 1
            32    9  14 2
            33   12  16 1
            34   20  24 2
            35   29  30 2
            36    8  33 1

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