Mol:BMCCID--k023

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BMCCID--k023.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 13 14  0  0  0  0  0  0  0  0999 V2000
    3.9563    1.7685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3685    0.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9563    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7734   -0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394    1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7734    1.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9074    1.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9074    0.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473   -0.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601   -1.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  2  0  0  0  0
  6  5  1  0  0  0  0
  5  4  2  0  0  0  0
  4  9  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
  3  2  2  0  0  0  0
  2  1  1  0  0  0  0
  1  8  1  0  0  0  0
  9  3  1  0  0  0  0
  3 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 11  1  0  0  0  0
S  SKP  7
ID	BMCCID--k023
NAME	Indole-3-acetic acid
FORMULA	C10H9NO2
EXACTMASS	175.0633
AVERAGEMASS	175.184
SMILES	OC(=O)Cc(c1)c(c2)c(ccc2)n1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00954
M  END

</pre>

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