KEGG   COMPOUND: C05660
Entry
C05660                      Compound                               
Name
5-Methoxyindoleacetate;
5-Methoxyindoleacetic acid
Formula
C11H11NO3
Exact mass
205.0739
Mol weight
205.2099
Structure
Reaction
R04905
Pathway
map00380  Tryptophan metabolism
Enzyme
2.1.1.4
Other DBs
CAS: 3471-31-6
PubChem: 7971
ChEBI: 28281
PDB-CCD: MYI[PDBj]
3DMET: B00830
NIKKAJI: J139.625K
LinkDB
KCF data

ATOM        15
            1   C8y C    24.7800  -19.9500
            2   C8x C    24.7800  -21.3500
            3   C8x C    25.9700  -22.0500
            4   C8y C    27.1600  -21.3500
            5   C8y C    27.1600  -19.9500
            6   C8x C    25.9700  -19.2500
            7   N4x N    28.5600  -21.7700
            8   C8x C    29.3300  -20.6500
            9   C8y C    28.5600  -19.5300
            10  C1b C    29.2600  -18.3400
            11  C6a C    30.6600  -18.3400
            12  O6a O    31.3600  -19.6000
            13  O6a O    31.3700  -17.1334
            14  O2a O    23.5647  -19.2549
            15  C1a C    22.3763  -19.9477
BOND        16
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 2
            14   11  13 1
            15    1  14 1
            16   14  15 1

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