KEGG   COMPOUND: C19869
Entry
C19869                      Compound                               
Name
beta-D-Gentiobiosyl crocetin
Formula
C32H44O14
Exact mass
652.2731
Mol weight
652.6834
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00900  Crocin biosynthesis, crocetin => crocin
Enzyme
2.4.1.271       2.4.1.330
Other DBs
PubChem: 135626336
KCF data

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

» Japanese version

DBGET integrated database retrieval system