KEGG   COMPOUND: C05839Help
Entry
C05839                      Compound                               

Name
cis-beta-D-Glucosyl-2-hydroxycinnamate;
beta-D-Glucosyl-2-coumarinate
Formula
C15H18O8
Exact mass
326.1002
Mol weight
326.2986
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Biosynthesis of secondary metabolites
Enzyme
3.2.1.21        5.2.1.-
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Others
    C05839  cis-beta-D-Glucosyl-2-hydroxycinnamate
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8y C    11.2700  -16.9400
            2   C8x C    11.2700  -18.3400
            3   C8x C    12.4824  -19.0400
            4   C8x C    13.6949  -18.3400
            5   C8x C    13.6949  -16.9400
            6   C8y C    12.4824  -16.2400
            7   C2b C    12.4824  -14.8402
            8   C2b C    13.6780  -14.1498
            9   C6a C    14.8652  -14.8352
            10  O6a O    16.0566  -14.1472
            11  O6a O    14.8653  -16.2398
            12  O2a O    10.0576  -16.2400
            13  C1y C     8.8621  -16.9304
            14  O2x O     7.6747  -16.2449
            15  C1y C     6.4623  -16.9449
            16  C1y C     6.4623  -18.3449
            17  C1y C     7.6497  -19.0304
            18  C1y C     8.8621  -18.3304
            19  C1b C     5.2311  -16.2340
            20  O1a O     7.6498  -20.4399
            21  O1a O     4.0303  -16.9273
            22  O1a O     5.2355  -19.0535
            23  O1a O    10.0996  -19.0450
BOND        24
            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     6   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12    1  12 1
            13   13  12 1 #Up
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   13  18 1
            20   15  19 1 #Up
            21   17  20 1 #Up
            22   19  21 1
            23   16  22 1 #Down
            24   18  23 1 #Down

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