KEGG   COMPOUND: C08426Help
Entry
C08426                      Compound                               

Name
Sinalbin;
p-Hydroxybenzyl glucosinolate
Formula
C14H19NO10S2
Exact mass
425.045
Mol weight
425.4314
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Enzyme
2.8.2.-
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Glucosinolates
   Glucosinolates derived from tyrosine
    C08426  p-Hydroxybenzyl glucosinolate
BRITE hierarchy
Other DBs
CAS: 20196-67-2
PubChem: 10621
ChEBI: 9151
KNApSAcK: C00001487
NIKKAJI: J493.608F
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    19.4418  -16.4373
            2   S2a S    19.4185  -15.0101
            3   O2x O    18.2943  -17.0954
            4   C1y C    20.5835  -17.1013
            5   C2c C    19.3601  -13.6937
            6   C1y C    18.2943  -18.4176
            7   C1y C    20.5776  -18.4234
            8   O1a O    21.7193  -16.4489
            9   C1b C    18.1078  -12.9773
            10  N2b N    20.5018  -13.0240
            11  C1y C    19.4301  -19.0816
            12  C1b C    17.1526  -19.0990
            13  O1a O    21.7134  -19.0933
            14  C8y C    16.8556  -13.6880
            15  O2a O    21.6376  -12.3540
            16  O1a O    19.4185  -20.3980
            17  O1a O    15.9994  -18.4467
            18  C8x C    16.8613  -15.1383
            19  C8x C    15.5973  -12.9714
            20  S4a S    22.8783  -13.2861
            21  C8x C    15.6090  -15.8663
            22  C8x C    14.3450  -13.6996
            23  O1d O    23.9442  -12.0745
            24  O1d O    21.7716  -14.4277
            25  O1d O    24.1597  -14.0957
            26  C8y C    14.3509  -15.1499
            27  O1a O    13.1045  -15.8722
BOND        28
            1     1   2 1 #Up
            2     1   3 1
            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 2
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1 #Up
            13    9  14 1
            14   10  15 1
            15   11  16 1 #Down
            16   12  17 1
            17   14  18 1
            18   14  19 2
            19   15  20 1
            20   18  21 2
            21   19  22 1
            22   20  23 2
            23   20  24 2
            24   20  25 1
            25   21  26 1
            26   26  27 1
            27    7  11 1
            28   22  26 2

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