KEGG   COMPOUND: C08598
Entry
C08598                      Compound                               
Name
Carthamone
Formula
C21H20O11
Exact mass
448.1006
Mol weight
448.3769
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1212 Chalcones and dihydrochalcones
    C08598  Carthamone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Chalcones
    C08598  Carthamone
Other DBs
PubChem: 10791
ChEBI: 3439
LIPIDMAPS: LMPK12120410
KNApSAcK: C00002372
3DMET: B02253
NIKKAJI: J107.411C
LinkDB
KCF data

ATOM        32
            1   C2y C    28.3025  -15.5582
            2   C2y C    27.1024  -16.2574
            3   C5x C    28.3025  -14.1657
            4   C5a C    29.5146  -16.2516
            5   O2a O    27.1198  -17.7547
            6   C5x C    25.8905  -15.5582
            7   C2x C    27.1024  -13.4665
            8   O5x O    29.5146  -13.4665
            9   C2b C    30.7206  -15.5582
            10  O5a O    29.5146  -17.6500
            11  C1y C    25.9370  -18.5937
            12  C2y C    25.8905  -14.1657
            13  O5x O    24.6844  -16.2574
            14  O2x O    24.7311  -17.8887
            15  C1y C    25.9370  -19.9921
            16  O1a O    24.6844  -13.4665
            17  C1y C    23.5133  -18.5937
            18  C1y C    24.7311  -20.6913
            19  O1a O    27.1431  -20.6913
            20  C1y C    23.5133  -19.9921
            21  C1b C    22.3013  -17.8947
            22  O1a O    24.7311  -22.0838
            23  O1a O    22.3072  -20.6913
            24  O1a O    21.0952  -18.5937
            25  C2b C    31.9308  -16.2597
            26  C8y C    33.1447  -15.5618
            27  C8x C    34.3205  -16.2434
            28  C8x C    35.5342  -15.5455
            29  C8y C    35.5366  -14.1455
            30  C8x C    34.3609  -13.4639
            31  C8x C    33.0772  -14.1618
            32  O1a O    36.7702  -13.4361
BOND        34
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10   11   5 1 #Up
            11    6  12 1
            12    6  13 2
            13   11  14 1
            14   11  15 1
            15   12  16 1
            16   14  17 1
            17   15  18 1
            18   15  19 1 #Down
            19   17  20 1
            20   17  21 1 #Up
            21   18  22 1 #Up
            22   20  23 1 #Down
            23   21  24 1
            24    7  12 2
            25   18  20 1
            26    9  25 2
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   26  31 1
            34   29  32 1

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