KEGG   COMPOUND: C08407Help
Entry
C08407                      Compound                               

Name
Glucocochlearin;
1-Methylpropyl glucosinolate
Formula
C11H21NO9S2
Exact mass
375.0658
Mol weight
375.4157
Structure
Mol fileKCF fileDB search
Pathway
map00966  Glucosinolate biosynthesis
map01110  Biosynthesis of secondary metabolites
map01210  2-Oxocarboxylic acid metabolism
Brite
Phytochemical compounds [BR:br08003]
 Amino acid related compounds
  Glucosinolates
   Glucosinolates derived from isoleucine
    C08407  1-Methylpropyl glucosinolate
BRITE hierarchy
Other DBs
CAS: 499-24-1
PubChem: 10603
ChEBI: 5402 79329
NIKKAJI: J2.359.684I
KCF data Show

ATOM        23
            1   C1y C    18.2469  -16.6423
            2   S2a S    18.2294  -15.2136
            3   O2x O    17.0864  -17.3131
            4   C1y C    19.3899  -17.3188
            5   C2c C    18.1711  -13.8897
            6   C1y C    17.0864  -18.6367
            7   C1y C    19.3840  -18.6427
            8   O1a O    20.5387  -16.6540
            9   N2b N    19.3083  -13.2132
            10  C1c C    16.9056  -13.1549
            11  C1y C    18.2411  -19.3075
            12  C1b C    15.9433  -19.3249
            13  O1a O    20.5328  -19.3191
            14  O2a O    20.4571  -12.5427
            15  C1b C    15.6344  -13.8839
            16  C1a C    16.9173  -11.6912
            17  O1a O    18.2294  -20.6371
            18  O1a O    14.7828  -18.6660
            19  S4a S    21.6992  -13.4757
            20  C1a C    14.3629  -13.1491
            21  O1d O    22.7780  -12.2628
            22  O1d O    20.5912  -14.6246
            23  O1d O    22.9938  -14.2864
BOND        23
            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 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Up
            12    7  13 1 #Up
            13    9  14 1
            14   10  15 1
            15   10  16 1 #Down
            16   11  17 1 #Down
            17   12  18 1
            18   14  19 1
            19   15  20 1
            20   19  21 2
            21   19  22 2
            22   19  23 1
            23    7  11 1

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