KEGG   COMPOUND: C19867
Entry
C19867                      Compound                               

Name
beta-D-Glucosyl crocetin
Formula
C26H34O9
Exact mass
490.2203
Mol weight
490.5428
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
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Carotenoids and apocarotenoids
   Apocarotenoids
    C19867  beta-D-Glucosyl crocetin
Other DBs
PubChem: 135626334
KNApSAcK: C00023155
LinkDB
KCF data

ATOM        35
            1   C2b C    33.1608  -28.7813
            2   C2c C    34.3443  -29.4775
            3   C2b C    31.9774  -29.4775
            4   C6a C    35.5975  -28.7813
            5   C1a C    34.3443  -30.8699
            6   C2b C    30.7939  -28.7813
            7   O6a O    35.5975  -27.3889
            8   O6a O    36.7810  -29.4775
            9   C2c C    29.5407  -29.4775
            10  C2b C    28.3572  -28.7813
            11  C1a C    29.5407  -30.8699
            12  C2b C    27.1737  -29.4775
            13  C2b C    25.9206  -28.7813
            14  C2b C    24.7370  -29.4775
            15  C2c C    23.5535  -28.7813
            16  C2b C    22.3004  -29.4775
            17  C1a C    23.5535  -27.3889
            18  C2b C    21.1168  -28.7813
            19  C2b C    19.9334  -29.4775
            20  C2c C    18.7499  -28.7813
            21  C7a C    17.4968  -29.4775
            22  C1a C    18.7499  -27.3889
            23  O7a O    17.4968  -30.8699
            24  O6a O    16.3132  -28.7813
            25  C1y C    16.2910  -31.5661
            26  O2x O    15.1020  -30.8794
            27  C1y C    13.8961  -31.5755
            28  C1y C    13.8959  -32.9679
            29  C1y C    15.0849  -33.6545
            30  C1y C    16.2908  -32.9584
            31  O1a O    15.0847  -35.0467
            32  C1b C    12.6716  -30.8684
            33  O1a O    11.3420  -31.6948
            34  O1a O    12.6797  -33.6699
            35  O1a O    17.5133  -33.6645
BOND        35
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 2
            7     4   8 1
            8     6   9 1
            9     9  10 2
            10    9  11 1
            11   10  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   15  17 1
            17   16  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   25  23 1 #Up
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   25  30 1
            31   29  31 1 #Up
            32   27  32 1 #Up
            33   32  33 1
            34   28  34 1 #Down
            35   30  35 1 #Down

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