KEGG   COMPOUND: C19869Help
Entry
C19869                      Compound                               

Name
beta-D-Gentiobiosyl crocetin
Formula
C32H44O14
Exact mass
652.2731
Mol weight
652.6834
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00999  Biosynthesis of secondary metabolites - unclassified
map01110  Biosynthesis of secondary metabolites
Enzyme
2.4.1.271       2.4.1.330
Other DBs
PubChem: 135626336
ChEMBL: CHEMBL450567
KCF data Show

ATOM        46
            1   C1y C    15.4700  -22.0500
            2   O2x O    14.2800  -21.3500
            3   O2a O    16.6600  -21.3500
            4   C1y C    15.4700  -23.4500
            5   C1y C    13.0900  -22.0500
            6   C1b C    17.9900  -20.4400
            7   C1y C    14.2800  -24.0800
            8   O1a O    16.6600  -24.0800
            9   C1y C    13.0900  -23.4500
            10  C1b C    11.8300  -21.3500
            11  C1y C    19.2500  -21.2100
            12  O1a O    14.2800  -25.4800
            13  O1a O    11.8300  -24.0800
            14  O1a O    10.6400  -22.0500
            15  C1y C    19.2500  -22.5400
            16  O2x O    20.4400  -20.5100
            17  C1y C    20.4400  -23.2400
            18  O1a O    18.0600  -23.0300
            19  C1y C    21.7000  -21.2100
            20  C1y C    21.7000  -22.5400
            21  O1a O    20.4400  -24.6400
            22  O1a O    22.8900  -23.2400
            23  C2b C    38.4300  -18.4100
            24  C2c C    39.6200  -19.1100
            25  C2b C    37.2400  -19.1100
            26  C6a C    40.8800  -18.4100
            27  C1a C    39.6200  -20.5100
            28  C2b C    36.0500  -18.4100
            29  O6a O    42.0700  -19.1100
            30  C2c C    34.7900  -19.1100
            31  C2b C    33.6000  -18.4100
            32  C1a C    34.7900  -20.5100
            33  C2b C    32.4100  -19.1100
            34  C2b C    31.1500  -18.4100
            35  C2b C    30.0300  -19.1100
            36  C2c C    28.8400  -18.4100
            37  C2b C    27.5800  -19.1100
            38  C1a C    28.8400  -17.0100
            39  C2b C    26.3900  -18.4100
            40  C2b C    25.2000  -19.1100
            41  C2c C    24.0100  -18.4100
            42  C7a C    22.7500  -19.1100
            43  C1a C    24.0100  -17.0100
            44  O7a O    22.7500  -20.5100
            45  O6a O    21.5600  -18.4100
            46  O6a O    40.8800  -17.0100
BOND        47
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1 #Down
            8     5   9 1
            9     5  10 1 #Up
            10   11   6 1 #Up
            11    7  12 1 #Up
            12    9  13 1 #Down
            13   10  14 1
            14   11  15 1
            15   11  16 1
            16   15  17 1
            17   15  18 1 #Down
            18   16  19 1
            19   17  20 1
            20   17  21 1 #Up
            21   20  22 1 #Down
            22    7   9 1
            23   19  20 1
            24   23  24 2
            25   23  25 1
            26   24  26 1
            27   24  27 1
            28   25  28 2
            29   26  29 1
            30   28  30 1
            31   30  31 2
            32   30  32 1
            33   31  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   36  37 1
            38   36  38 1
            39   37  39 2
            40   39  40 1
            41   40  41 2
            42   41  42 1
            43   41  43 1
            44   42  44 1
            45   42  45 2
            46   26  46 2
            47   19  44 1 #Up

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