KEGG   COMPOUND: C13703
Entry
C13703                      Compound                               
Name
IAA-94;
Indanyloxyacetic acid
Formula
C17H18Cl2O4
Exact mass
356.0582
Mol weight
357.2284
Structure
Other DBs
CAS: 54197-31-8
PubChem: 586292
ChEBI: 34794
NIKKAJI: J2.599.829D
LinkDB
KCF data

ATOM        23
            1   C8x C    29.8087  -17.2775
            2   C8y C    31.0156  -16.5783
            3   C8y C    31.0156  -15.1798
            4   C8y C    29.8087  -14.4806
            5   C8y C    28.5947  -16.5783
            6   C8y C    28.5915  -15.1793
            7   C5x C    27.2601  -14.7502
            8   C1z C    26.4407  -15.8838
            9   C1x C    27.2655  -17.0135
            10  C1y C    25.2258  -15.1798
            11  C1a C    25.4448  -16.8678
            12  C1x C    25.0853  -13.7730
            13  C1x C    23.7124  -13.4787
            14  C1x C    23.0086  -14.6937
            15  C1x C    23.9463  -15.7385
            16  O5x O    26.8248  -13.4213
            17  X   Cl   29.8114  -13.0822
            18  X   Cl   32.2272  -14.4815
            19  O2a O    32.2272  -17.2764
            20  C1b C    32.2282  -18.6748
            21  C6a C    33.4398  -19.3732
            22  O6a O    33.4408  -20.7716
            23  O6a O    34.6504  -18.6731
BOND        25
            1     8  11 1 #Down
            2     5   1 1
            3     1   2 2
            4     2   3 1
            5     3   4 2
            6    10  12 1
            7    12  13 1
            8    13  14 1
            9    14  15 1
            10   15  10 1
            11    5   6 2
            12    7  16 2
            13    6   7 1
            14    4  17 1
            15    7   8 1
            16    3  18 1
            17    8   9 1
            18    2  19 1
            19    9   5 1
            20   19  20 1
            21    4   6 1
            22   20  21 1
            23    8  10 1 #Up
            24   21  22 1
            25   21  23 2

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