KEGG   COMPOUND: C17675
Entry
C17675                      Compound                               
Name
Neocarthamin
Formula
C21H22O11
Exact mass
450.1162
Mol weight
450.3928
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1214 Flavanones
    C17675  Neocarthamin
Glycosides [BR:br08021]
 O-glycosides
  Flavonoid glycosides
   Flavanones
    C17675  Neocarthamin
Other DBs
PubChem: 96024018
ChEBI: 81267
LinkDB
KCF data

ATOM        32
            1   C8y C    27.5813  -18.6798
            2   C8y C    27.5813  -20.0792
            3   C8y C    26.3918  -20.7788
            4   C8y C    25.1323  -20.0792
            5   C8y C    25.1323  -18.6798
            6   C8x C    26.3918  -17.9800
            7   C5x C    28.7932  -20.7788
            8   C1x C    30.0051  -20.0792
            9   C1y C    30.0051  -18.6798
            10  O2x O    28.7932  -17.9800
            11  O1a O    23.9263  -17.9701
            12  O1a O    23.9263  -20.7888
            13  C8y C    31.2357  -17.9691
            14  C8x C    32.4404  -18.6644
            15  C8x C    33.6521  -17.9647
            16  C8y C    33.6521  -16.5653
            17  C8x C    32.4475  -15.8699
            18  C8x C    31.2356  -16.5697
            19  O1a O    34.8695  -15.8622
            20  O5x O    28.7932  -22.1780
            21  O2a O    26.4089  -22.1781
            22  C1y C    25.1971  -22.8778
            23  O2x O    23.9892  -22.1804
            24  C1y C    22.7773  -22.8801
            25  C1y C    22.7773  -24.2795
            26  C1y C    23.9853  -24.9769
            27  C1y C    25.1971  -24.2772
            28  C1b C    21.5466  -22.1694
            29  O1a O    20.3440  -22.8637
            30  O1a O    23.9852  -26.3761
            31  O1a O    21.5485  -24.9891
            32  O1a O    26.4130  -24.9792
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     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    1  10 1
            12    5  11 1
            13    4  12 1
            14    9  13 1 #Down
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22    7  20 2
            23    3  21 1
            24   22  21 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   25  31 1 #Down
            35   27  32 1 #Down

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